SCHEMBL2220124

SCHEMBL2220124

Cn1cc(-c2cnc(Cl)nc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.46
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
CHEK1 O14757 1/20 0.42
CHEK2 O96017 1/20 0.42
KCNH2 Q12809 1/20 0.41
LRRK2 Q5S007 1/20 0.41
MAPT P10636 1/20 0.40
MET P08581 1/20 0.40
AURKA O14965 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
FLT3 P36888 1/20 0.40
RET P07949 3/20 0.39
GPR55 Q9Y2T6 1/20 0.39
ACVR1 Q04771 1/20 0.39
PDK2 Q15119 1/20 0.38
GRM2 Q14416 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL13807047 0.81 LRRK2 (0.45) FGFR3KDRCHEK1CHEK2LRRK2
SCHEMBL20150132 0.79 ALOX5AP (0.50) CHEK1CHEK2LRRK2METAURKA
SCHEMBL26953500 0.79 CHEK1 (0.42) AXLCHEK1CHEK2LRRK2MAPT
SCHEMBL8184158 0.79 PIK3CD (0.48) FGFR3KDRKCNH2LRRK2MAPT
SCHEMBL13858787 0.77 FGFR3 (0.47) AXLFGFR3KDRKCNH2LRRK2
SCHEMBL24921579 0.76 CHEK1 (0.47) FGFR3KDRCHEK1CHEK2LRRK2
SCHEMBL18927534 0.76 CHEK1 (0.40) CHEK1CHEK2KCNH2LRRK2MAPT
SCHEMBL22663603 0.76 KDM5B (0.43) CHEK1CHEK2LRRK2MAPTAURKA
SCHEMBL15044974 0.76 GPR55 (0.43) CHEK1CHEK2LRRK2MAPTMET
SCHEMBL17067727 0.76 LRRK2 (0.46) AXLFGFR3KDRLRRK2MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024017258-A1 EGFR SMALL MOLECULE INHIBITOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF 百极弘烨(南通)医药科技有限公司 2024-01-25 WO disclosed
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 US disclosed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 WO disclosed
US-8563561-B2 3-(3-pyrimidine-2-yl-benzyl)-[1,2,4] triazolo[4,3-b]pyrimidine derivatives MERCK PATENT GMBH (DE) 2013-10-22 US disclosed
US-8563561-B2 3-(3-pyrimidine-2-yl-benzyl)-[1,2,4] triazolo[4,3-b]pyrimidine derivatives MERCK PATENT GMBH (DE) 2013-10-22 US disclosed
US-8563561-B2 3-(3-pyrimidine-2-yl-benzyl)-[1,2,4] triazolo[4,3-b]pyrimidine derivatives MERCK PATENT GMBH (DE) 2013-10-22 US disclosed
EP-2358715-B1 3-(3-PYRIMIDIN-2-YL-BENZYL)-[1,2,4]TRIAZOLO[4,3-B]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-12-26 EP disclosed
EP-2358715-B1 3-(3-PYRIMIDIN-2-YL-BENZYL)-[1,2,4]TRIAZOLO[4,3-B]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-12-26 EP disclosed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20110257172-A1 3-(3-Pyrimidine-2-yl-benzyl)-[1,2,4] triazolo[4,3-b]pyrimidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-10-20 US disclosed
US-20110257172-A1 3-(3-Pyrimidine-2-yl-benzyl)-[1,2,4] triazolo[4,3-b]pyrimidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-10-20 US disclosed
US-20110257172-A1 3-(3-Pyrimidine-2-yl-benzyl)-[1,2,4] triazolo[4,3-b]pyrimidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-10-20 US disclosed
EP-2358715-A1 3-(3-PYRIMIDIN-2-YL-BENZYL)-[1,2,4]TRIAZOLO[4,3-B]PYRIMIDINE DERIVATIVES Merck Patent GmbH (DE) 2011-08-24 EP disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed
WO-2010069441-A1 3-(3-PYRIMIDIN-2-YL-BENZYL)-[1,2,4]TRIAZOLO[4,3-B]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-24 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 AXL 426/4885FGFR3 124/4885KDR 131/4885
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 AXL 1700/4885FGFR3 1179/4885KDR 917/4885
US-20110257172-A1 3-(3-Pyrimidine-2-yl-benzyl)-[1,2,4] triazolo[4,3-b]pyrimidine derivatives RET, JAK2, TYRO3 AXL 92/4885FGFR3 76/4885KDR 68/4885

“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.