SCHEMBL2358844

SCHEMBL2358844

Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1-c1ccc2c(c1)[nH]c1ncncc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43
DDR2 Q16832 7/20 0.43
BRAF P15056 7/20 0.42
FGFR1 P11362 5/20 0.42
ABL1 P00519 1/20 0.41

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
SCHEMBL2355475 0.85 RAB9A (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1HTT
SCHEMBL2304320 0.82 DDR2 (0.53) DDR2BRAFFGFR1ABL1
SCHEMBL2304975 0.81 DDR2 (0.65) DDR2BRAFFGFR1ABL1
SCHEMBL2307333 0.79 DDR2 (0.47) DDR2FGFR1ABL1
SCHEMBL4444272 0.78 GRIK1 (0.54) ABL1
SCHEMBL2302812 0.78 DDR2 (0.54) DDR2BRAFFGFR1ABL1
SCHEMBL2304728 0.78 DDR2 (0.50) SMN1; SMN2DDR2BRAFFGFR1
SCHEMBL2304084 0.78 DDR2 (0.65) DDR2BRAFFGFR1ABL1
SCHEMBL2307892 0.77 ABL1 (0.56) DDR2BRAFFGFR1ABL1
SCHEMBL2307710 0.77 BRAF (0.48) DDR2BRAFABL1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2013-10-17 US claimed
US-8513270-B2 Substituted heterocycles as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-08-20 US claimed
EP-2121692-B1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2013-04-10 EP claimed
EP-2121692-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2009-11-25 EP claimed
US-20080188500-A1 e.g. N-[4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-3-(trifluoromethyl)benzamide; Janus kinases inhibitor; anticarcinogenic agent; immune-related diseases, skin disorders, myeloid proliferative disorders INCYTE CORPORATION 2008-08-07 US claimed
WO-2008079965-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-07-03 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-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-8841318-B2 Substituted heterocycles as janus kinase inhibitors INCYTE CORPORATION (US) 2014-09-23 US disclosed
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO disclosed
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2013-10-17 US disclosed
US-8513270-B2 Substituted heterocycles as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-08-20 US disclosed
EP-2121692-B1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2013-04-10 EP disclosed
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2012-11-29 US disclosed
EP-2349260-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES Incyte Corporation (US) 2011-08-03 EP 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
US-20080188500-A1 e.g. N-[4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-3-(trifluoromethyl)benzamide; Janus kinases inhibitor; anticarcinogenic agent; immune-related diseases, skin disorders, myeloid proliferative disorders INCYTE CORPORATION 2008-08-07 US 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 (7 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-20170087158-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 TAS1R3 384/4885TAS1R1 410/4885TAS1R2 579/4885
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 TAS1R3 448/4885TAS1R1 496/4885TAS1R2 552/4885
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 TAS1R3 4681/4885TAS1R1 4708/4885TAS1R2 4736/4885
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 TAS1R3 448/4885TAS1R1 496/4885TAS1R2 552/4885
US-20080188500-A1 e.g. N-[4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-3-(trifluoromethyl)benzamide; Janus kinases inhibitor; anticarcinogenic agent; immune-related diseases, skin disorders, myeloid proliferative disorders JAK3, JAK1, JAK2 TAS1R3 1996/4885TAS1R1 2197/4885TAS1R2 2162/4885
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 TAS1R3 448/4885TAS1R1 496/4885TAS1R2 552/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 TAS1R3 2249/4885TAS1R1 2333/4885TAS1R2 2534/4885

“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.