SCHEMBL15529256

SCHEMBL15529256

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.50
CNR2 P34972 6/20 0.50
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
EPHX2 P34913 3/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
P2RX7 Q99572 1/20 0.36
CHRNA7 P36544 1/20 0.36
BACE1 P56817 3/20 0.35
BACE2 Q9Y5Z0 2/20 0.35
NPY5R Q15761 1/20 0.34

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
SCHEMBL15528849 0.89 CNR1 (0.43) CNR1CNR2ALDH1A1EPHX2KDM4E
SCHEMBL15529125 0.85 CNR1 (0.44) CNR1CNR2ALDH1A1MAPTHTT
SCHEMBL15528897 0.85 ALDH1A1 (0.46) CNR1CNR2ALDH1A1EPHX2KDM4E
SCHEMBL15529383 0.85 CNR1 (0.71) CNR1CNR2
SCHEMBL15529072 0.84 CNR1 (0.45) CNR1CNR2ALDH1A1EPHX2KDM4E
SCHEMBL15529744 0.83 CNR1 (0.46) CNR1CNR2ALDH1A1MAPTHTT
SCHEMBL15529491 0.81 CNR1 (0.40) CNR1CNR2ALDH1A1MAPTEPHX2
SCHEMBL15529045 0.81 GAA (0.47) CNR1CNR2ALDH1A1MAPTKDM4E
SCHEMBL16660101 0.80 CNR1 (0.37) CNR1CNR2MAPTEPHX2GAA
SCHEMBL15529492 0.80 CNR1 (0.37) CNR1CNR2MAPTEPHX2GAA

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 11 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-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-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
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 181/4885ALDH1A1 2095/4885
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 CNR1 194/4885CNR2 181/4885ALDH1A1 2095/4885

“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.