SCHEMBL254659

SCHEMBL254659

CN1CC(Cc2ccccc2)CC(C(=O)Nc2ccc3[nH]nc(-c4ccncc4)c3c2)C1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.48
MAPK3 P27361 3/20 0.48
MAP2K2 P36507 1/20 0.48
MAP2K1 Q02750 1/20 0.48
MAPK6 Q16659 1/20 0.48
PDPK1 O15530 1/20 0.45
LRRK2 Q5S007 1/20 0.44

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
SCHEMBL176001 0.82 NAMPT (0.37) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL173496 0.80 MAPK1 (0.55) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL12074360 0.80
SCHEMBL18197045 0.79 GRIN2B (0.35)
SCHEMBL15022646 0.78 ROCK2 (0.68) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15021912 0.78 ROCK2 (0.68) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15021797 0.77 ROCK2 (0.66) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL18197043 0.76 GRM4 (0.36)
SCHEMBL168269 0.74 MAPK1 (0.56) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL18197038 0.74 F10 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 EP claimed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US claimed
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 US disclosed
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 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-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MAPK3, MAPK1, MAP3K1 MAPK1 2/4885MAPK3 1/4885MAP2K2 58/4885
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 MAPK1 1118/4885MAPK3 748/4885MAP2K2 147/4885

“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.