SCHEMBL15529353

SCHEMBL15529353

CON(C)C(=O)c1cc(-c2ccco2)nn1-c1ccc(Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 7/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 5/20 0.43
CTDSP1 Q9GZU7 3/20 0.43
POLB P06746 8/20 0.42
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 6/20 0.41
PKM P14618 5/20 0.41
MAPT P10636 5/20 0.41
TDP1 Q9NUW8 4/20 0.41
MCL1 Q07820 2/20 0.41
DNMT1 P26358 1/20 0.41
HPGD P15428 5/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
PTGS1 P23219 6/20 0.40
PTGS2 P35354 1/20 0.37
HSD17B10 Q99714 3/20 0.36
NPSR1 Q6W5P4 3/20 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
SCHEMBL15528815 0.83 POLB (0.58) RECQLMEN1KMT2AKDM4ECTDSP1
SCHEMBL16660116 0.82 TDP1 (0.36) RECQLMEN1KMT2AKDM4EPOLB
SCHEMBL15529866 0.73 KDM4E (0.40) RECQLMEN1KMT2AKDM4ECTDSP1
SCHEMBL15529580 0.73 PTGS1 (0.40) RECQLMEN1KMT2AKDM4ECTDSP1
SCHEMBL15529557 0.71 PTGS1 (0.40) RECQLMEN1KMT2AKDM4ECTDSP1
SCHEMBL15529011 0.71 PTGS1 (0.42) RECQLMEN1KMT2AKDM4ECTDSP1
SCHEMBL15529145 0.71 ALDH1A1 (0.46) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL16660114 0.69 MAPT (0.40) RECQLMEN1KMT2AKDM4EPOLB
SCHEMBL15529183 0.68 KDM4E (0.52) RECQLMEN1KMT2AKDM4ECTDSP1
SCHEMBL15528874 0.68 CNR1 (0.40) MEN1KMT2AALDH1A1MAPTTDP1

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 RECQL 1758/4885MEN1 2266/4885KMT2A 4655/4885
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 RECQL 1758/4885MEN1 2266/4885KMT2A 4655/4885

“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.