SCHEMBL9959710

SCHEMBL9959710

Cc1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(C(=O)O)cc23)ccn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 4/20 0.36
MAPK3 P27361 1/20 0.36
HPGD P15428 2/20 0.35
RORC P51449 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL10238572 0.92 MAP2K4 (0.39) MAPK1MAPK3HPGDALDH1A1
SCHEMBL2731757 0.90 FGFR1 (0.40) KDM4EMAPK1HPGDALDH1A1
SCHEMBL2733053 0.89 MAPK1 (0.39) MAPK1MAPK3
SCHEMBL9959716 0.88 JMJD6 (0.43) KDM4EHPGDALDH1A1
SCHEMBL17948434 0.86 TEAD1 (0.37) KDM4EMAPK1MAPK3
SCHEMBL9986454 0.85 CSNK2A2 (0.41) KDM4EMAPK1MAPK3HPGDRORC
SCHEMBL18113477 0.84 MAPK1 (0.34) MAPK1
SCHEMBL20474956 0.82 MAPK1 (0.39) MAPK1
SCHEMBL29511828 0.82 MAPK1 (0.39) MAPK1
SCHEMBL15294473 0.81 HPGD (0.42) KDM4EMAPK1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2584903-B1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-10-24 EP disclosed
EP-2654748-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-07-27 EP disclosed
EP-2654748-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-07-27 EP disclosed
US-9351965-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-9351965-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-9351965-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-8999957-B2 Heterocyclic compounds as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-8999957-B2 Heterocyclic compounds as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-8999957-B2 Heterocyclic compounds as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
EP-2654748-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-10-30 EP disclosed
US-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-10-03 US disclosed
US-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-10-03 US disclosed
US-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-10-03 US disclosed
EP-2584903-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-01 EP disclosed
US-20130096084-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS MERCK SHARP & DOHME LLC 2013-04-18 US disclosed
US-20130096084-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS MERCK SHARP & DOHME LLC 2013-04-18 US disclosed
US-20130096084-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS MERCK SHARP & DOHME LLC 2013-04-18 US disclosed
WO-2012087772-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-06-28 WO disclosed
WO-2012087772-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-06-28 WO disclosed
WO-2011163330-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-12-29 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-20130096084-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS MAPK1, MAPK6, MAPK3 KDM4E 1557/4885MAPK1 1/4885MAPK3 3/4885
US-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MAPK3, MAPK1, MAP3K1 KDM4E 1916/4885MAPK1 2/4885MAPK3 1/4885

“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.