SCHEMBL2592972

SCHEMBL2592972

COc1nc(CO)cc(C)c1C#N

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.61
POLB P06746 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
SQOR Q9Y6N5 9/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL23895347 0.84 RECQL (0.61) RECQLPOLBTSHRMAPK1SQOR
SCHEMBL4074633 0.83 RECQL (0.59) RECQLPOLBTSHRMAPK1SQOR
SCHEMBL2594001 0.80 RECQL (0.52) RECQLPOLBTSHRMAPK1SQOR
SCHEMBL30445572 0.78 RECQL (0.47) RECQLPOLBTSHRMAPK1SQOR
SCHEMBL20176988 0.78 RECQL (0.47) RECQLPOLBTSHRMAPK1SQOR
SCHEMBL30445161 0.78 KCNJ1 (0.51) RECQLPOLBTSHRMAPK1
SCHEMBL20176989 0.78 KCNJ1 (0.51) RECQLPOLBTSHRMAPK1
SCHEMBL2673753 0.78 RECQL (0.71) RECQLPOLBTSHRMAPK1SMN1; SMN2
SCHEMBL5377959 0.76 RECQL (1.00) RECQLPOLBTSHRMAPK1SQOR
SCHEMBL16401899 0.75 RECQL (0.50) RECQLPOLBTSHRMAPK1SQOR

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2019-11-19 US disclosed
US-20180207144-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE LLC 2018-07-26 US disclosed
US-9956210-B2 Enhancer of zeste homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-20170095461-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE LLC 2017-04-06 US disclosed
US-9562041-B2 Enhancer of zeste homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2017-02-07 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
EP-2646020-B1 INDOLES GLAXOSMITHKLINE LLC (US) 2016-09-21 EP disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 US disclosed
US-20130345200-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2013-12-26 US disclosed
WO-2013173441-A2 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-11-21 WO disclosed
EP-2646020-A1 INDOLES GlaxoSmithKline LLC (US) 2013-10-09 EP disclosed
US-20130245016-A1 INDOLES GLAXOSMITHKLINE LLC 2013-09-19 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
WO-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 WO disclosed
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 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 (7 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-20130245016-A1 INDOLES IDO1, IDO2, INMT RECQL 1489/4885POLB 2211/4885TSHR 2266/4885
US-20180207144-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, EZH1, BMI1 RECQL 3966/4885POLB 1932/4885TSHR 3800/4885
US-20170095461-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, EZH1, BMI1 RECQL 3966/4885POLB 1932/4885TSHR 3800/4885
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors EZH2, EZH1, BMI1 RECQL 3966/4885POLB 1932/4885TSHR 3800/4885
US-20130345200-A1 INDOLES IDO1, IDO2, INMT RECQL 1489/4885POLB 2211/4885TSHR 2266/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT RECQL 1597/4885POLB 2222/4885TSHR 2245/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT RECQL 1489/4885POLB 2211/4885TSHR 2266/4885

“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.