SCHEMBL2864006

SCHEMBL2864006

O=C(NC1CC1)c1ccc(F)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.57
TAS1R1 Q7RTX1 2/20 0.57
TAS1R2 Q8TE23 2/20 0.57
MAPK14 Q16539 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MCHR1 Q99705 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
DPP4 P27487 3/20 0.49
KCNH2 Q12809 3/20 0.49
DPP7 Q9UHL4 3/20 0.49
AR P10275 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
SMYD3 Q9H7B4 2/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL531986 0.85 MCHR1 (0.64) TAS1R3TAS1R1TAS1R2MAPK14NPC1
SCHEMBL2868187 0.82 TAS1R3 (0.58) TAS1R3TAS1R1TAS1R2MAPK14NPC1
SCHEMBL2948427 0.82 MAPK14 (0.58) MAPK14NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5630057 0.81 KMT2A (0.54) TAS1R3TAS1R2MAPK14NPC1RAB9A
SCHEMBL2060027 0.81 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2MAPK14NPC1
SCHEMBL531505 0.81 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2MAPK14NPC1
SCHEMBL13790808 0.81 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2MAPK14NPC1
SCHEMBL22468487 0.80 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2MAPK14NPC1
SCHEMBL22468540 0.80 NPC1 (0.46) TAS1R3TAS1R1TAS1R2MAPK14NPC1
SCHEMBL22468507 0.80 NPC1 (0.45) TAS1R3TAS1R1TAS1R2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198053-A1 2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-4-METHYLBENZAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS RIPK2 INHIBITORS FOR TREATING E.G. AUTOIMMUNE DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-01 WO disclosed
WO-2020198053-A1 2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-4-METHYLBENZAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS RIPK2 INHIBITORS FOR TREATING E.G. AUTOIMMUNE DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-01 WO disclosed
EP-2997030-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-08-09 EP disclosed
US-9682083-B2 Pyrrolo[2,3-D]pyrimidine derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-06-20 US disclosed
US-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-06-16 US disclosed
EP-2997030-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-03-23 EP disclosed
WO-2014184069-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-11-20 WO disclosed
EP-1513818-B1 HETEROCYCLIC INHIBITORS OF VEGFR-2 KINASES BRISTOL MYERS SQUIBB CO (US) 2010-01-20 EP disclosed
US-7547711-B2 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-16 US disclosed
EP-1513818-A4 HETEROCYCLIC INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-10-04 EP disclosed
US-7084160-B2 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-01 US disclosed
US-20060135576-A1 Heterocyclic inhibitors of kinases BORZILLERI ROBERT M 2006-06-22 US disclosed
EP-1513818-A2 HETEROCYCLIC INHIBITORS OF KINASES Bristol-Myers Squibb Company (US) 2005-03-16 EP disclosed
US-20040077696-A1 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
WO-2004001059-A2 HETEROCYCLIC INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-31 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 (3 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-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS RET, DCK, PRKD2 TAS1R3 3810/4885TAS1R1 3865/4885TAS1R2 3885/4885
US-20060135576-A1 Heterocyclic inhibitors of kinases FGFR1, FLT1, FGFR2 TAS1R3 974/4885TAS1R1 611/4885TAS1R2 623/4885
US-20040077696-A1 Heterocyclic inhibitors of kinases FGFR1, FLT1, FGFR2 TAS1R3 1061/4885TAS1R1 622/4885TAS1R2 685/4885

“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.