SCHEMBL467698

SCHEMBL467698

NNc1cc2c(nn1)-c1ccccc1CCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
CYP3A4 P08684 1/20 0.54
THRB P10828 1/20 0.54
ACHE P22303 5/20 0.48
BCHE P06276 5/20 0.48
CHRM4 P08173 1/20 0.46
DRD4 P21917 1/20 0.42
CYP2A6 P11509 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOS3 P29474 1/20 0.39

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
SCHEMBL4989170 0.94 USP2 (0.47) USP2CYP3A4THRBACHEBCHE
SCHEMBL467676 0.76 DRD4 (0.49) USP2CYP3A4THRBACHEBCHE
SCHEMBL15127507 0.76 DRD4 (0.49) USP2CYP3A4THRBACHEBCHE
SCHEMBL14923037 0.76 USP2 (0.45) USP2CYP3A4THRBACHEBCHE
SCHEMBL10390269 0.74 USP2 (0.59) USP2CYP3A4THRBACHEBCHE
SCHEMBL10263413 0.72 USP2 (0.45) USP2CYP3A4THRBACHEBCHE
SCHEMBL10202352 0.72 DRD4 (0.45) USP2CYP3A4THRBACHEBCHE
SCHEMBL2739528 0.71 ALDH1A1 (0.49) ACHEBCHENPC1MAPTKDM4E
SCHEMBL12160443 0.71 MAPT (0.53) USP2CYP3A4THRBACHEBCHE
SCHEMBL23143476 0.68 DRD4 (0.47) BCHEDRD4CYP2A6MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889148-A1 AXL TYROSINE RECEPTOR KINASE INHIBITOR \"R428\" IN PURIFIED FORM BerGenBio ASA (NO) 2021-10-06 EP claimed
EP-3218367-B1 PROCESS FOR THE PURIFICATION OF THE AXL TYROSINE RECEPTOR KINASE INHIBITOR \"R428\ BERGENBIO ASA (NO) 2021-05-19 EP claimed
US-9994553-B2 Process for the purification of the Axl tyrosine receptor kinase inhibitor “R428” BERGENBIO AS (NO) 2018-06-12 US claimed
US-20170334884-A1 PROCESS FOR THE PURIFICATION OF THE AXL TYROSINE RECEPTOR KINASE INHIBITOR \"R428\ BERGENBIO ASA (NO) 2017-11-23 US claimed
EP-3218367-A1 PROCESS FOR THE PURIFICATION OF THE AXL TYROSINE RECEPTOR KINASE INHIBITOR \"R428\ BerGenBio AS (NO) 2017-09-20 EP claimed
WO-2016075477-A9 PROCESS FOR THE PURIFICATION OF THE AXL TYROSINE RECEPTOR KINASE INHIBITOR \"R428\ BERGENBIO AS (NO) 2017-07-06 WO claimed
WO-2016075477-A1 PROCESS FOR THE PURIFICATION OF THE AXL TYROSINE RECEPTOR KINASE INHIBITOR \"R428\ BERGENBIO AS (NO) 2016-05-19 WO claimed
WO-2022268026-A1 1,2,4-TRIAZOLE COMPOUNDS AS AXL INHIBITORS 南京正大天晴制药有限公司 2022-12-29 WO disclosed
US-20210379064-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER MIDCAP FINANCIAL TRUST 2021-12-09 US disclosed
US-20210379064-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER MIDCAP FINANCIAL TRUST 2021-12-09 US disclosed
EP-3889148-A1 AXL TYROSINE RECEPTOR KINASE INHIBITOR \"R428\" IN PURIFIED FORM BerGenBio ASA (NO) 2021-10-06 EP disclosed
EP-3218367-B1 PROCESS FOR THE PURIFICATION OF THE AXL TYROSINE RECEPTOR KINASE INHIBITOR \"R428\ BERGENBIO ASA (NO) 2021-05-19 EP disclosed
US-20190336500-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER RIGEL PHARMACEUTICALS, INC. 2019-11-07 US disclosed
US-20080188454-A1 angiogenesis and/or cell proliferation, carcinoma, myeloid leukemia, endometriosis; inhibitors of the receptor protein tyrosine kinase; N3-(3-cyclopentyl-1,2,3,4,5,6-hexahydrobenzo[d]azocin-8-yl)-1-(6-fluoroquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080188454-A1 angiogenesis and/or cell proliferation, carcinoma, myeloid leukemia, endometriosis; inhibitors of the receptor protein tyrosine kinase; N3-(3-cyclopentyl-1,2,3,4,5,6-hexahydrobenzo[d]azocin-8-yl)-1-(6-fluoroquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080188454-A1 angiogenesis and/or cell proliferation, carcinoma, myeloid leukemia, endometriosis; inhibitors of the receptor protein tyrosine kinase; N3-(3-cyclopentyl-1,2,3,4,5,6-hexahydrobenzo[d]azocin-8-yl)-1-(6-fluoroquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
WO-2008083367-A2 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
WO-2008083353-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 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 (5 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-20190336500-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER AXL, FLT3, MET USP2 1865/4885CYP3A4 4671/4885THRB 322/4885
US-20170334884-A1 PROCESS FOR THE PURIFICATION OF THE AXL TYROSINE RECEPTOR KINASE INHIBITOR \"R428\ AXL, TYRO3, RET USP2 3155/4885CYP3A4 3779/4885THRB 59/4885
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 USP2 2125/4885CYP3A4 3592/4885THRB 80/4885
US-20210379064-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER AXL, FLT3, MET USP2 1865/4885CYP3A4 4671/4885THRB 322/4885
US-20080188454-A1 angiogenesis and/or cell proliferation, carcinoma, myeloid leukemia, endometriosis; inhibitors of the receptor protein tyrosine kinase; N3-(3-cyclopentyl-1,2,3,4,5,6-hexahydrobenzo[d]azocin-8-yl)-1-(6-fluoroquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine AXL, FLT3, FLT1 USP2 1638/4885CYP3A4 3175/4885THRB 673/4885

“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.