SCHEMBL1386972

SCHEMBL1386972

Clc1ccc(-c2nc3[nH]ncc3c(-c3ccc(Cl)nc3)c2-c2ccncc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
PIK3CA P42336 3/20 0.38
AKT1 P31749 1/20 0.38
CLK1 P49759 1/20 0.37
CYP2A6 P11509 1/20 0.36
NQO2 P16083 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
KDR P35968 1/20 0.34
ETV6 P41212 1/20 0.34
BRAF P15056 2/20 0.33
NUDT1 P36639 1/20 0.32
PIK3CD O00329 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
METAP2 P50579 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31

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
SCHEMBL1384646 0.92 MAPK14 (0.40) MAPK1KDRBRAFMAPK13MAPK12
SCHEMBL2926811 0.85 MAPK1 (0.41) MAPK1PIK3CAAKT1CLK1NQO2
SCHEMBL29652689 0.79 MAPK14 (0.48) ADORA2AADORA2BMAPK13MAPK12MAPK11
SCHEMBL2931861 0.79 MAPK14 (0.48) ADORA2AADORA2BMAPK13MAPK12MAPK11
SCHEMBL1386721 0.79 FGFR1 (0.45) AKT1CLK1ADORA2ABRAFMETAP2
SCHEMBL1385467 0.77 MAPK1 (0.39) MAPK1CYP2A6NQO2ADORA2AADORA2B
SCHEMBL2931805 0.75 MAPK14 (0.47) ADORA2AADORA2BNUDT1METAP2MAPK13
SCHEMBL2927993 0.75 BRAF (0.41) MAPK1CYP2A6ADORA2ABRAFMAPK13
SCHEMBL1386446 0.74 MAPK14 (0.49) MAPK1ADORA2AADORA2BBRAFKDM4E
SCHEMBL1384084 0.73 KDR (0.35) MAPK1CYP2A6NQO2ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536194-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2013-09-17 US claimed
JP-4814783-B2 2011-11-16 JP claimed
EP-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 EP claimed
US-20090005377-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-01-01 US claimed
US-7468376-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2008-12-23 US claimed
US-20060167040-A1 Pyrazolopyridine derivates J. URIACH Y COMPANIA S.A. (ES) 2006-07-27 US claimed
EP-1611131-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach y Compagnia S.A. (ES) 2006-01-04 EP claimed
WO-2004076450-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach Y Compañia S.A. (ES) 2004-09-10 WO claimed
US-8536194-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2013-09-17 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
EP-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 EP disclosed
US-20090286983-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-11-19 US disclosed
US-20090005377-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-01-01 US disclosed
US-7468376-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2008-12-23 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
US-20060167040-A1 Pyrazolopyridine derivates J. URIACH Y COMPANIA S.A. (ES) 2006-07-27 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 (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-20060167040-A1 Pyrazolopyridine derivates MAPK1, MAP4K2, MAP4K3 MAPK1 1/4885PIK3CA 625/4885AKT1 223/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 MAPK1 1/4885PIK3CA 551/4885AKT1 219/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB MAPK1 1145/4885PIK3CA 21/4885AKT1 488/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 MAPK1 1/4885PIK3CA 551/4885AKT1 219/4885

“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.