SCHEMBL2305033

SCHEMBL2305033

O=C(Nc1cccc(-c2ccc3c(c2)[nH]c2ncncc23)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.53
PDGFRB P09619 1/20 0.52
KDR P35968 1/20 0.52
BRAF P15056 5/20 0.51
PTGS1 P23219 1/20 0.51
MAPT P10636 1/20 0.50
KCNK3 O14649 1/20 0.50
TEK Q02763 1/20 0.49
ABL1 P00519 1/20 0.49
KIT P10721 1/20 0.49
SRC P12931 1/20 0.49
MAPK14 Q16539 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
KCNE1 P15382 1/20 0.49
KCNQ1 P51787 1/20 0.49
KCNQ5 Q9NR82 1/20 0.49

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
SCHEMBL2302007 0.96 LCK (0.58) LCKPDGFRBKDRBRAFPTGS1
SCHEMBL2304040 0.89 DDR2 (0.65) LCKKDRBRAFPTGS1TEK
SCHEMBL2304084 0.88 DDR2 (0.65) LCKKDRBRAFTEKABL1
SCHEMBL2307402 0.88 DDR2 (0.65) LCKPDGFRBKDRBRAFTEK
SCHEMBL2307590 0.86 RAF1 (0.57) BRAFDDR2
SCHEMBL2304975 0.86 DDR2 (0.65) LCKKDRBRAFTEKABL1
SCHEMBL2306827 0.86 LCK (0.61) LCKKDRBRAFTEKKIT
Trifluoroacetic Acid SCHEMBL4438472 0.85 DDR2 (0.62) LCKKDRBRAFTEKABL1
SCHEMBL2303547 0.85 DDR2 (0.51) LCKKDRBRAFTEKKIT
SCHEMBL2305092 0.84 DDR2 (0.58) LCKKDRBRAFMAPTTEK

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 14 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
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
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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO 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

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 LCK 300/4885PDGFRB 166/4885KDR 1053/4885
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 LCK 86/4885PDGFRB 367/4885KDR 353/4885
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 LCK 4657/4885PDGFRB 2957/4885KDR 4667/4885
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 LCK 86/4885PDGFRB 367/4885KDR 353/4885
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 LCK 50/4885PDGFRB 286/4885KDR 1661/4885
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 LCK 86/4885PDGFRB 367/4885KDR 353/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 LCK 34/4885PDGFRB 313/4885KDR 710/4885

“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.