SCHEMBL696231

SCHEMBL696231

Cc1ccccc1C(=O)Nc1cc[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
HPGD P15428 2/20 0.54
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 2/20 0.54
ALOX15 P16050 1/20 0.54
HTT P42858 1/20 0.54
TP53 P04637 1/20 0.54
TYK2 P29597 1/20 0.53
ALPL P05186 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
CSF1R P07333 1/20 0.48
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.47
PARP1 P09874 1/20 0.46
KMT2A Q03164 2/20 0.46
KCNK3 O14649 2/20 0.46
KCNK9 Q9NPC2 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL3421532 0.84 RXFP1 (0.43) NPC1RAB9AHPGDALDH1A1TP53
SCHEMBL3421840 0.83 KDM4E (0.53) NPC1RAB9AHPGDALDH1A1MAPK1
SCHEMBL29493451 0.83 KDM4E (0.53) NPC1RAB9AHPGDALDH1A1MAPK1
SCHEMBL29164888 0.83 TYK2 (0.42) NPC1RAB9AALDH1A1ALOX15HTT
SCHEMBL31665357 0.82 POLB (0.50) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL3418714 0.82 RXFP1 (0.67) NPC1RAB9AALDH1A1MAPK1TP53
SCHEMBL7163149 0.82 POLB (0.50) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL759767 0.81 CCNA2 (0.58) NPC1RAB9AHPGDALDH1A1TP53
SCHEMBL756390 0.81 NPC1 (0.57) NPC1RAB9AHPGDALDH1A1HTT
SCHEMBL29164864 0.80 PDE10A (0.51) NPC1RAB9AHPGDSMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2421835-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO 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 NPC1 1464/4885RAB9A 1678/4885HPGD 644/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 NPC1 433/4885RAB9A 1472/4885HPGD 122/4885

“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.