SCHEMBL15529183

SCHEMBL15529183

O=C(O)c1cc(-c2ccco2)n(-c2ccc(Br)cn2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
TDP1 Q9NUW8 5/20 0.52
EGLN1 Q9GZT9 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
POLB P06746 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
RECQL P46063 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ESR1 P03372 1/20 0.40
PLA2G1B P04054 1/20 0.40
ALOX15 P16050 1/20 0.40
PPARG P37231 1/20 0.40
GFER P55789 1/20 0.40
ESR2 Q92731 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40

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
SCHEMBL16660116 0.83 TDP1 (0.36) KDM4ETDP1EGLN1ALDH1A1MEN1
SCHEMBL16660102 0.81 MAPT (0.58) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL16661916 0.80 KDM4E (0.37) KDM4ETDP1EGLN1ALDH1A1L3MBTL1
SCHEMBL15528815 0.79 POLB (0.58) KDM4ETDP1EGLN1ALDH1A1MEN1
SCHEMBL16660109 0.78 KDM4E (0.36) KDM4ETDP1EGLN1ALDH1A1MEN1
SCHEMBL16661917 0.78 MAPT (0.37) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL16660114 0.78 MAPT (0.40) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL15529455 0.78 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27638852 0.78 MARS1 (0.47) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1816556 0.77 RPA1 (0.64) KDM4ETDP1ALDH1A1MEN1KMT2A

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 KDM4E 3752/4885TDP1 3305/4885EGLN1 3383/4885
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 KDM4E 3752/4885TDP1 3305/4885EGLN1 3383/4885

“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.