SCHEMBL858200

SCHEMBL858200

c1ccc(COCc2nc(-c3ccnc4[nH]ccc34)no2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
ROCK1 Q13464 2/20 0.47
AURKB Q96GD4 2/20 0.47
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
IGF1R P08069 1/20 0.47
FGFR1 P11362 1/20 0.47
PRKACA P17612 1/20 0.47
FLT1 P17948 1/20 0.47
LTK P29376 1/20 0.47
GRK5 P34947 1/20 0.47
KDR P35968 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL858129 0.86 RAB9A (0.55) S1PR1S1PR3ROCK1AURKBIKBKB
SCHEMBL858331 0.86 NPC1 (0.52) S1PR1S1PR3ROCK1AURKBIKBKB
SCHEMBL857571 0.79 NPC1 (0.55) S1PR1S1PR3ROCK1AURKBIKBKB
SCHEMBL2356502 0.79 ROCK1 (0.48) ROCK1AURKBIKBKBCHUKDAPK3
SCHEMBL857327 0.75 S1PR1 (0.53) S1PR1S1PR3ROCK1AURKBIKBKB
SCHEMBL857452 0.75 S1PR1 (0.53) S1PR1S1PR3ROCK1AURKBIKBKB
SCHEMBL858005 0.75 MAPT (0.51) S1PR1S1PR3ROCK1JAK2PRKACA
SCHEMBL857620 0.75 KDM4E (0.55) S1PR1S1PR3ROCK1CCNKCDK12
SCHEMBL878739 0.75 HTR2A (0.39) S1PR1S1PR3RAB9ANPC1SMN1; SMN2
SCHEMBL858468 0.74 S1PR1 (0.51) S1PR1S1PR3ROCK1AURKBIKBKB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2020-03-26 US claimed
EP-3042655-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES Incyte Holdings Corporation (US) 2016-07-13 EP claimed
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2012-11-29 US claimed
EP-2349260-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES Incyte Corporation (US) 2011-08-03 EP claimed
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2010-05-06 US claimed
WO-2010039939-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2010-04-08 WO claimed
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2020-03-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20170087158-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2017-03-30 US disclosed
EP-3042655-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES Incyte Holdings Corporation (US) 2016-07-13 EP disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-7863288-B2 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON, INC. (US) 2011-01-04 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2010-05-06 US disclosed
WO-2010039939-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2010-04-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 S1PR1 2355/4885S1PR3 2564/4885ROCK1 787/4885
US-20170087158-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 S1PR1 242/4885S1PR3 215/4885ROCK1 78/4885
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 S1PR1 695/4885S1PR3 708/4885ROCK1 36/4885
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 S1PR1 695/4885S1PR3 708/4885ROCK1 36/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 S1PR1 2957/4885S1PR3 2964/4885ROCK1 369/4885
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 S1PR1 695/4885S1PR3 708/4885ROCK1 36/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 S1PR1 2957/4885S1PR3 2964/4885ROCK1 369/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 S1PR1 2957/4885S1PR3 2964/4885ROCK1 369/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.