SCHEMBL3064478

SCHEMBL3064478

O=C(Nc1ccn(Cc2ccc(Cl)cc2C(F)(F)F)n1)c1ccncc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 3/20 0.57
ORAI1 Q96D31 3/20 0.57
ORAI3 Q9BRQ5 1/20 0.57
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
NPSR1 Q6W5P4 4/20 0.45
HTT P42858 2/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
EGFR P00533 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
TRPC1 P48995 1/20 0.43
TRPC3 Q13507 1/20 0.43
GAA P10253 1/20 0.42
PTGER1 P34995 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
SCHEMBL759331 0.91 STIM1 (0.53) STIM1ORAI1ORAI3LMNASMN1; SMN2
SCHEMBL705896 0.90 STIM1 (0.52) STIM1ORAI1ORAI3LMNASMN1; SMN2
SCHEMBL759966 0.90 STIM1 (0.71) STIM1ORAI1ORAI3LMNASMN1; SMN2
SCHEMBL761809 0.89 NPC1 (0.51) STIM1ORAI1ORAI3LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL758582 0.89 STIM1 (0.51) STIM1ORAI1ORAI3LMNASMN1; SMN2
SCHEMBL699419 0.89 STIM1 (0.57) STIM1ORAI1ORAI3LMNASMN1; SMN2
SCHEMBL757562 0.89 STIM1 (0.67) STIM1ORAI1ORAI3LMNASMN1; SMN2
SCHEMBL758182 0.89 STIM1 (0.64) STIM1ORAI1ORAI3LMNASMN1; SMN2
SCHEMBL758485 0.86 STIM1 (0.54) STIM1ORAI1ORAI3LMNASMN1; SMN2
SCHEMBL758160 0.85 STIM1 (0.54) STIM1ORAI1ORAI3LMNASMN1; SMN2

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 9 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
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.