SCHEMBL695750

SCHEMBL695750

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
POLQ O75417 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
HSD11B1 P28845 2/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
ESRRA P11474 2/20 0.34
C5AR1 P21730 2/20 0.34
GPR183 P32249 1/20 0.34
PTGER1 P34995 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL696212 0.87 STIM1 (0.38) GRM5STIM1ORAI1ORAI3MEN1
SCHEMBL695020 0.74 ALDH1A1 (0.48) STIM1ORAI1ORAI3POLQMEN1
SCHEMBL634352 0.74 TYR (0.41) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL2115672 0.74 CACNA1G (0.47) NR1H2NR1H3
SCHEMBL11620020 0.71 CYP3A4 (0.49) GRM5MEN1KMT2AHSD11B1NR1H3
SCHEMBL12468720 0.71 ALDH1A1 (0.38) GRM5MEN1KMT2ANR1H2NR1H3
SCHEMBL2114944 0.70 MEN1 (0.37) MEN1KMT2ACA12CA1CA9
SCHEMBL758509 0.70 STIM1 (0.57) GRM5STIM1ORAI1ORAI3PTGER1
SCHEMBL758182 0.69 STIM1 (0.64) GRM5STIM1ORAI1ORAI3PTGER1
SCHEMBL757151 0.69 STIM1 (0.67) STIM1ORAI1ORAI3PTGER1LMNA

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 GRM5 1007/4885STIM1 33/4885ORAI1 1/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 GRM5 1775/4885STIM1 2564/4885ORAI1 3127/4885

“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.