SCHEMBL15528849

SCHEMBL15528849

NC(=O)c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
SCN9A Q15858 10/20 0.40
SCN10A Q9Y5Y9 2/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.38
CYP2C9 P11712 1/20 0.36
SCN5A Q14524 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
CHRNA7 P36544 1/20 0.36

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
SCHEMBL15529256 0.89 CNR1 (0.50) CNR1CNR2KMT2AEPHX2KDM4E
SCHEMBL15528897 0.88 ALDH1A1 (0.46) CNR1CNR2EPHX2KDM4EALDH1A1
SCHEMBL15529072 0.87 CNR1 (0.45) CNR1CNR2KMT2AEPHX2KDM4E
SCHEMBL16660101 0.85 CNR1 (0.37) CNR1CNR2EPHX2CHRNA7
SCHEMBL15529492 0.85 CNR1 (0.37) CNR1CNR2EPHX2CHRNA7
SCHEMBL16660100 0.82 CNR1 (0.44) CNR1CNR2EPHX2CYP2C9KDM4E
SCHEMBL15529125 0.82 CNR1 (0.44) CNR1CNR2EPHX2CYP2C9KDM4E
SCHEMBL15529045 0.81 GAA (0.47) CNR1CNR2KMT2AKDM4EALDH1A1
SCHEMBL15529491 0.81 CNR1 (0.40) CNR1CNR2KMT2AEPHX2KDM4E
SCHEMBL15528874 0.80 CNR1 (0.40) CNR1CNR2KMT2AEPHX2ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-9409898-B2 Substituted pyrazole compounds as CRAC modulators LUPIN LIMITED (IN) 2016-08-09 US disclosed
US-9409898-B2 Substituted pyrazole compounds as CRAC modulators LUPIN LIMITED (IN) 2016-08-09 US disclosed
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 US disclosed
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 US disclosed
EP-2844656-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS Lupin Limited (IN) 2015-03-11 EP disclosed
WO-2013164773-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2013-11-07 WO 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-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 CNR1 194/4885CNR2 181/4885SCN9A 258/4885
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 CNR1 194/4885CNR2 181/4885SCN9A 258/4885

“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.