SCHEMBL759767

SCHEMBL759767

O=C(Nc1cc[nH]n1)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.58
CDK2 P24941 1/20 0.58
CCNA1 P78396 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
HPGD P15428 2/20 0.54
JAK2 O60674 2/20 0.53
TYK2 P29597 1/20 0.53
POLB P06746 1/20 0.51
F2 P00734 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP11B2 P19099 1/20 0.49
GRM4 Q14833 1/20 0.49
SMO Q99835 1/20 0.49
LMNA P02545 2/20 0.48
BDKRB1 P46663 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
SCHEMBL29164864 0.85 PDE10A (0.51) CCNA2CDK2CCNA1SMN1; SMN2NPC1
SCHEMBL30822730 0.85 PDE10A (0.51) CCNA2CDK2CCNA1SMN1; SMN2NPC1
SCHEMBL3421840 0.83 KDM4E (0.53) SMN1; SMN2NPC1RAB9AHPGDPOLB
SCHEMBL29493451 0.83 KDM4E (0.53) SMN1; SMN2NPC1RAB9AHPGDPOLB
SCHEMBL754986 0.83 RAB9A (0.52) RAB9AHPGDJAK2TYK2KMT2A
SCHEMBL7163149 0.82 POLB (0.50) SMN1; SMN2NPC1RAB9ACYP2C19HPGD
SCHEMBL31665357 0.82 POLB (0.50) SMN1; SMN2NPC1RAB9ACYP2C19HPGD
SCHEMBL696231 0.81 NPC1 (0.56) SMN1; SMN2NPC1RAB9AHPGDTYK2
SCHEMBL3421532 0.81 RXFP1 (0.43) CCNA2CDK2CCNA1SMN1; SMN2NPC1
SCHEMBL756390 0.81 NPC1 (0.57) SMN1; SMN2NPC1RAB9AHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4555547-B2 2010-10-06 JP claimed
JP-2004505977-A 2004-02-26 JP claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO claimed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 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 (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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E CCNA2 4713/4885CDK2 1906/4885CCNA1 4650/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 CCNA2 2125/4885CDK2 1771/4885CCNA1 2762/4885

“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.