SCHEMBL4011970

SCHEMBL4011970

CSc1ncc2c(-c3ccccc3Cl)n[nH]c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.47
KDR P35968 2/20 0.47
AURKB Q96GD4 2/20 0.47
DCUN1D1 Q96GG9 1/20 0.43
HSP90AA1 P07900 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MAPK14 Q16539 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALPL P05186 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL16447913 0.90 AURKA (0.43) AURKAKDRAURKBDCUN1D1HSP90AA1
SCHEMBL5107013 0.85 DCUN1D1 (0.42) AURKAKDRAURKBDCUN1D1MAPT
SCHEMBL2599336 0.82 NTRK1 (0.51) AURKAKDRAURKBDCUN1D1MAPT
SCHEMBL5100381 0.81 DCUN1D1 (0.39) AURKAAURKBDCUN1D1LMNAGSK3A
SCHEMBL5097334 0.81 GSK3B (0.40) AURKAKDRAURKBDCUN1D1MAPT
SCHEMBL5093625 0.78 GSK3B (0.40) AURKAAURKBDCUN1D1GSK3AGSK3B
SCHEMBL4014901 0.77 HSP90AA1 (0.45) AURKAKDRAURKBDCUN1D1HSP90AA1
SCHEMBL4020901 0.77 GSK3A (0.39) DCUN1D1LMNAGSK3AGSK3BMAPK14
SCHEMBL4015259 0.77 L3MBTL1 (0.45) DCUN1D1HSP90AA1MAPTLMNAGSK3A
SCHEMBL4013983 0.75 HSP90AA1 (0.49) AURKAKDRAURKBDCUN1D1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
EP-1919470-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 US 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 (2 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-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 AURKA 1444/4885KDR 2876/4885AURKB 382/4885
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 AURKA 1735/4885KDR 2606/4885AURKB 509/4885

“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.