SCHEMBL9986229

SCHEMBL9986229

COC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 15/20 0.58
MAPK3 P27361 8/20 0.58
MAP2K4 P45985 3/20 0.57
MAPKAPK3 Q16644 1/20 0.52
MAPK6 Q16659 1/20 0.52

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
SCHEMBL1501529 0.85 KDM4E (0.55) MAP2K4
SCHEMBL5373352 0.85 LRRK2 (0.62) MAPK1MAP2K4
SCHEMBL2864413 0.84 MAP2K4 (0.60) MAP2K4
SCHEMBL14872686 0.82 MAPK1 (0.65) MAPK1MAPK3MAP2K4MAPKAPK3MAPK6
SCHEMBL9987358 0.81 MAPK1 (0.66) MAPK1MAPK3MAP2K4MAPKAPK3MAPK6
SCHEMBL2866811 0.81 MAP2K4 (0.55) MAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL2860913 0.81 MAP2K4 (0.61) MAPK1MAPK3MAP2K4MAPKAPK3MAPK6
SCHEMBL2861069 0.81 ALPL (0.54) MAPK1MAPK3MAP2K4MAPKAPK3MAPK6
SCHEMBL12074457 0.81 MAPK1 (0.65) MAPK1MAPK3
SCHEMBL2671181 0.80 KDM4E (0.49) MAP2K4

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 10 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
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-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-2011163330-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-12-29 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 (1 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 MAPK1 1/4885MAPK3 3/4885MAP2K4 92/4885

“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.