SCHEMBL10241263

SCHEMBL10241263

Cc1cccc(Cl)c1Cn1ccc(NC(=O)c2c(F)cccc2F)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.66
STIM1 Q13586 2/20 0.64
ORAI1 Q96D31 2/20 0.64
ORAI3 Q9BRQ5 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 4/20 0.50
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.49
STAT3 P40763 1/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CACNA1G O43497 1/20 0.45

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
SCHEMBL755509 0.92 STIM1 (0.70) EGFRSTIM1ORAI1ORAI3SMN1; SMN2
SCHEMBL757537 0.92 STIM1 (0.70) EGFRSTIM1ORAI1ORAI3SMN1; SMN2
SCHEMBL760784 0.91 STIM1 (0.72) EGFRSTIM1ORAI1ORAI3SMN1; SMN2
SCHEMBL699641 0.88 STIM1 (0.65) EGFRSTIM1ORAI1ORAI3SMN1; SMN2
SCHEMBL765197 0.87 STIM1 (0.64) EGFRSTIM1ORAI1ORAI3SMN1; SMN2
SCHEMBL30096519 0.87 STIM1 (0.64) EGFRSTIM1ORAI1ORAI3SMN1; SMN2
SCHEMBL757540 0.86 STIM1 (0.60) EGFRSTIM1ORAI1ORAI3SMN1; SMN2
SCHEMBL760052 0.85 STIM1 (0.61) EGFRSTIM1ORAI1ORAI3SMN1; SMN2
SCHEMBL758374 0.85 STIM1 (0.84) EGFRSTIM1ORAI1ORAI3SMN1; SMN2
SCHEMBL757452 0.83 STIM1 (0.61) EGFRSTIM1ORAI1ORAI3SMN1; 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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 EGFR 4607/4885STIM1 33/4885ORAI1 1/4885

“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.