SCHEMBL15529290

SCHEMBL15529290

Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(Br)cn3)n2)oc1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
NOTUM Q6P988 2/20 0.38
EPHX2 P34913 3/20 0.36
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
IL2 P60568 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL15530387 0.85 NOTUM (0.34) KMT2ANOTUMIL2
SCHEMBL15529219 0.84 EPHX2 (0.42) KMT2ANOTUMEPHX2CNR1CNR2
SCHEMBL15529587 0.84 KMT2A (0.39) KMT2ANOTUMEPHX2NPSR1CNR1
SCHEMBL15529582 0.84 NOTUM (0.37) KMT2ANOTUMMAPTIL2
SCHEMBL15529112 0.83 NOTUM (0.34) KMT2ANOTUMMAPTIL2
SCHEMBL15529701 0.80 EPHX2 (0.36) KMT2AEPHX2NPSR1MAPTCNR1
SCHEMBL15529507 0.80 KMT2A (0.39) KMT2ANOTUM
SCHEMBL15529157 0.80 NOTUM (0.36) KMT2ANOTUMIL2
SCHEMBL30096584 0.79 EPHX2 (0.40) KMT2ANOTUMEPHX2IL2
SCHEMBL17318709 0.78 EPHX2 (0.65) EPHX2MAPT

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 KMT2A 4655/4885NOTUM 3182/4885EPHX2 4022/4885
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 KMT2A 4655/4885NOTUM 3182/4885EPHX2 4022/4885

“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.