SCHEMBL759331

SCHEMBL759331

O=C(Nc1ccn(Cc2ccc(Cl)cc2C(F)(F)F)n1)c1ccncc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.53
ORAI1 Q96D31 2/20 0.53
ORAI3 Q9BRQ5 1/20 0.53
RAB9A P51151 3/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 5/20 0.44
NPSR1 Q6W5P4 4/20 0.44
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
PTGER1 P34995 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL756398 0.91 STIM1 (0.65) STIM1ORAI1ORAI3RAB9ANPC1
SCHEMBL3064478 0.91 STIM1 (0.57) STIM1ORAI1ORAI3RAB9ANPC1
SCHEMBL705896 0.91 STIM1 (0.52) STIM1ORAI1ORAI3RAB9ANPC1
SCHEMBL756200 0.91 STIM1 (0.52) STIM1ORAI1ORAI3RAB9ANPC1
Hydrochloric Acid SCHEMBL758582 0.90 STIM1 (0.51) STIM1ORAI1ORAI3RAB9ANPC1
SCHEMBL758509 0.88 STIM1 (0.57) STIM1ORAI1ORAI3RAB9ANPC1
SCHEMBL761267 0.88 STIM1 (0.49) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL757181 0.87 STIM1 (0.49) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL757151 0.84 STIM1 (0.67) STIM1ORAI1ORAI3RAB9ANPC1
SCHEMBL757562 0.83 STIM1 (0.67) STIM1ORAI1ORAI3RAB9ANPC1

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 10 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-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
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

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 STIM1 33/4885ORAI1 1/4885ORAI3 25/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 STIM1 2564/4885ORAI1 3127/4885ORAI3 2440/4885

“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.