SCHEMBL1244741

SCHEMBL1244741

Clc1ccnc2c(Br)cnn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.43
KDR P35968 3/20 0.40
ABL1 P00519 1/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
TLR9 Q9NR96 1/20 0.35
GSK3B P49841 6/20 0.35
CDK2 P24941 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CHEK1 O14757 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34

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
SCHEMBL20565707 0.80 RAB9A (0.41) AXLMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13990648 0.77 AXL (0.43) AXLKDRABL1MEN1USP2
SCHEMBL13304717 0.77 RAB9A (0.42) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL20565659 0.77 RAB9A (0.39) KDRMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL17447627 0.77 MAPT (0.39) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL23104339 0.77 KDM4E (0.56) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL11931575 0.74 GSK3B (0.41) AXLKDRABL1SMN1; SMN2MEN1
SCHEMBL20558034 0.73 GPR119 (0.36) MAPTRAB9ANPC1SMN1; SMN2GSK3B
SCHEMBL3780252 0.73 RAB9A (0.59) KDRMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14264668 0.73 MAPT (0.36) MAPTRAB9ANPC1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069348-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed
EP-1942900-B1 USE OF PYRAZOLO [1,5-A] PYRIMIDINE DERIVATIVES FOR INHIBITING KINASES METHODS FOR INHIBITING PROTEIN KINASES MERCK SHARP & DOHME (US) 2015-06-03 EP disclosed
US-8410119-B2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
US-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 US disclosed
US-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 US disclosed
EP-2292620-A2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prohylaxis and treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2011-03-09 EP disclosed
EP-2287166-A2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2011-02-23 EP disclosed
EP-2287165-A2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2011-02-23 EP disclosed
EP-2287165-A2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2011-02-23 EP disclosed
EP-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 EP disclosed
US-20070072882-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-29 US disclosed
US-20070072844-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-03-29 US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 US disclosed
WO-2007017678-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EIRX THERAPEUTICS LIMITED (IE) 2007-02-15 WO disclosed
WO-2007017678-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EIRX THERAPEUTICS LIMITED (IE) 2007-02-15 WO disclosed
US-7132426-B2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2006-11-07 US disclosed
US-20060142262-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2006-06-29 US disclosed
EP-1644375-A2 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
US-20050059650-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2005-03-17 US disclosed
WO-2005007658-A2 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2005-01-27 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 (4 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-20060142262-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 AXL 1576/4885KDR 3668/4885ABL1 1552/4885
US-20070072882-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A AXL 1285/4885KDR 2048/4885ABL1 290/4885
US-20050059650-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 AXL 1576/4885KDR 3668/4885ABL1 1552/4885
US-20070072844-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 AXL 1576/4885KDR 3668/4885ABL1 1552/4885

“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.