SCHEMBL696212

SCHEMBL696212

O=C1c2ccccc2C(=O)N1c1ccn(Cc2ccc(I)cc2C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
DHFR P00374 1/20 0.33
CHRM5 P08912 1/20 0.33
GRM5 P41594 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
P2RX7 Q99572 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL695750 0.87 GRM5 (0.41) STIM1ORAI1ORAI3CA12CA1
SCHEMBL694971 0.74 ALDH1A1 (0.48) STIM1ORAI1ORAI3TDP1MEN1
SCHEMBL2115672 0.71 CACNA1G (0.47)
SCHEMBL12468720 0.71 ALDH1A1 (0.38) GRM5MEN1KMT2A
SCHEMBL634352 0.70 TYR (0.41) MEN1KMT2A
SCHEMBL2114944 0.70 MEN1 (0.37) CA12CA1CA9P2RX7MEN1
SCHEMBL30096550 0.69 STIM1 (0.64) STIM1ORAI1ORAI3
SCHEMBL758604 0.69 STIM1 (0.64) STIM1ORAI1ORAI3
SCHEMBL758395 0.68 STIM1 (0.55) STIM1ORAI1ORAI3TDP1KMT2A
SCHEMBL708750 0.68 STIM1 (0.55) STIM1ORAI1ORAI3

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 5 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-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
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.