SCHEMBL705896

SCHEMBL705896

Cc1cnccc1C(=O)Nc1ccn(Cc2ccc(Cl)cc2C(F)(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.52
ORAI1 Q96D31 2/20 0.52
ORAI3 Q9BRQ5 1/20 0.52
NPSR1 Q6W5P4 3/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 6/20 0.42
LMNA P02545 5/20 0.42
RIPK1 Q13546 5/20 0.42
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 2/20 0.42
APP P05067 1/20 0.42
SNCA P37840 1/20 0.42
PTGER1 P34995 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
Hydrochloric Acid SCHEMBL758582 0.99 STIM1 (0.51) STIM1ORAI1ORAI3NPSR1RAB9A
SCHEMBL759331 0.91 STIM1 (0.53) STIM1ORAI1ORAI3NPSR1RAB9A
SCHEMBL3064478 0.90 STIM1 (0.57) STIM1ORAI1ORAI3NPSR1RAB9A
SCHEMBL758607 0.90 STIM1 (0.65) STIM1ORAI1ORAI3NPSR1SMN1; SMN2
SCHEMBL759772 0.89 STIM1 (0.52) STIM1ORAI1ORAI3NPSR1SMN1; SMN2
SCHEMBL757550 0.89 STIM1 (0.55) STIM1ORAI1ORAI3NPSR1RAB9A
Hydrochloric Acid SCHEMBL755387 0.88 STIM1 (0.51) STIM1ORAI1ORAI3NPSR1SMN1; SMN2
SCHEMBL756919 0.87 STIM1 (0.50) STIM1ORAI1ORAI3NPSR1SMN1; SMN2
SCHEMBL758185 0.86 STIM1 (0.49) STIM1ORAI1ORAI3NPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL756068 0.85 STIM1 (0.48) STIM1ORAI1ORAI3NPSR1SMN1; 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 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-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
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

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.