SCHEMBL1243431

SCHEMBL1243431

Clc1ncnc2c1cnn2-c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.50
NPC1 O15118 8/20 0.50
KDM4E B2RXH2 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
ALDH1A1 P00352 6/20 0.50
HPGD P15428 5/20 0.50
MAPT P10636 5/20 0.50
HSD17B10 Q99714 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TP53 P04637 4/20 0.49
HTT P42858 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
XDH P47989 5/20 0.49
EGFR P00533 1/20 0.48
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48

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
SCHEMBL11476904 0.87 RAB9A (0.63) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL13387475 0.84 TP53 (0.59) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6269930 0.84 XDH (0.68) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2077026 0.84 ALDH1A1 (0.67) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL30034914 0.84 ALDH1A1 (0.67) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6071871 0.83 GSK3B (0.53) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8344595 0.82 GSK3B (0.54) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2499455 0.81 XDH (0.71) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1245399 0.79 GPR119 (0.49) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL30568614 0.77 HSP90AA1 (0.42) RAB9ANPC1KDM4ESMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005047288-A1 PYRAZOLOPYRIMIDINES AS ANTI - HEPATITS C AGENTS ARROW THERAPEUTICS LIMITED (GB) 2005-05-26 WO claimed
CN-102180880-B Method for synthesizing bromophenyl pyrazolo[3,4-d]pyrimidine derivative UNIV CHANGZHOU 2014-04-09 CN 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
CN-102180880-A Method for synthesizing bromophenyl pyrazolo[3,4-d]pyrimidine derivative UNIV CHANGZHOU 2011-09-14 CN 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
US-20100093761-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-7625906-B2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors HOLZER PHILIPP 2008-11-06 US disclosed
EP-1963327-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007062805-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS NOVARTIS AG (CH) 2007-06-07 WO disclosed
US-20070082874-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICLAS, INC. (US) 2007-04-12 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-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
WO-2006050946-A1 1,4 SUBSTITUTED PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-05-18 WO 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
WO-2005047288-A1 PYRAZOLOPYRIMIDINES AS ANTI - HEPATITS C AGENTS ARROW THERAPEUTICS LIMITED (GB) 2005-05-26 WO 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 (6 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 RAB9A 1824/4885NPC1 418/4885KDM4E 1864/4885
US-20070082874-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 RAB9A 1824/4885NPC1 418/4885KDM4E 1864/4885
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors EPHB3, EPHB2, EPHB1 RAB9A 2817/4885NPC1 4064/4885KDM4E 1400/4885
US-20100093761-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO CYP7A1, CYP27A1, CYP4F3 RAB9A 1824/4885NPC1 418/4885KDM4E 1864/4885
US-20050059650-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 RAB9A 1824/4885NPC1 418/4885KDM4E 1864/4885
US-20070072844-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 RAB9A 1824/4885NPC1 418/4885KDM4E 1864/4885

“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.