SCHEMBL4373740

SCHEMBL4373740

COc1ccc(Cn2nnnc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.48
SNCA P37840 1/20 0.45
HSD11B1 P28845 1/20 0.43
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.41
PKM P14618 1/20 0.41
P2RX7 Q99572 2/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
LPL P06858 2/20 0.39
LIPG Q9Y5X9 2/20 0.39
GAA P10253 3/20 0.39
GFER P55789 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL15595444 0.79 MEN1 (0.65) SNCAMEN1NPC1RAB9AKMT2A
SCHEMBL4372445 0.78 HSD11B1 (0.49) HSD11B1ERCC5FEN1TDP1ALDH1A1
SCHEMBL6361740 0.78 P2RX7 (0.65) HSD11B1ERCC5FEN1TDP1ALDH1A1
SCHEMBL6358318 0.78 P2RX7 (0.61) HSD11B1ERCC5FEN1ALDH1A1PKM
SCHEMBL26469523 0.76 UCHL1 (0.48) UCHL1SNCAERCC5FEN1ALDH1A1
SCHEMBL25429869 0.76 UCHL1 (0.46) UCHL1SNCATDP1ALDH1A1LPL
SCHEMBL3227695 0.75 LPL (0.50) SNCALPLLIPG
SCHEMBL24155056 0.75 UCHL1 (0.48) UCHL1SNCAERCC5FEN1MEN1
SCHEMBL22795474 0.75 LIPG (0.65) SNCALPLLIPGDGAT1
SCHEMBL26089010 0.74 UCHL1 (0.50) UCHL1ALDH1A1MEN1KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884043-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-20170340610-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME LLC 2017-11-30 US disclosed
EP-2683693-B1 RORGAMMAT INHIBITORS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
US-9603838-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-28 US disclosed
US-20150297566-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME LLC 2015-10-22 US disclosed
US-9095583-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2015-08-04 US disclosed
US-20140038942-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-02-06 US disclosed
EP-2487159-A1 RorgammaT inhibitors MSD Oss B.V. (NL) 2012-08-15 EP disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
EP-1670757-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 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 (4 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-20150297566-A1 RORgammaT INHIBITORS RORB, RORC, RORA UCHL1 4590/4885SNCA 4253/4885HSD11B1 61/4885
US-20170340610-A1 RORgammaT INHIBITORS RORB, RORC, RORA UCHL1 4662/4885SNCA 4246/4885HSD11B1 85/4885
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 UCHL1 3689/4885SNCA 2461/4885HSD11B1 2433/4885
US-20140038942-A1 RORgammaT INHIBITORS RORB, RORC, RORA UCHL1 4662/4885SNCA 4246/4885HSD11B1 85/4885

“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.