SCHEMBL176241

SCHEMBL176241

O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CN(Cc2cccnc2)CCO1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
MAPK3 P27361 1/20 0.46
MAP2K2 P36507 1/20 0.46
MAP2K1 Q02750 1/20 0.46
MAPK6 Q16659 1/20 0.46
WNT1 P04628 7/20 0.45
DYRK1A Q13627 6/20 0.45
CLK2 P49760 3/20 0.45
CLK3 P49761 3/20 0.45
PDPK1 O15530 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
SCHEMBL173759 0.93 MAPK1 (0.56) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15021338 0.89 MAPK1 (0.53) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL173256 0.89 MAPK1 (0.53) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15021943 0.88 MAPK1 (0.53) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15021550 0.87 MAPK1 (0.52) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15021808 0.87 MAPK1 (0.51) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL178032 0.87 LRRK2 (0.58) MAPK1
SCHEMBL15021911 0.86 MAPK1 (0.51) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15021560 0.86 MAPK1 (0.51) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL176069 0.86 LRRK2 (0.56) MAPK1MAPK3MAP2K2MAP2K1MAPK6

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 12 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-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US claimed
EP-2613782-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-17 EP claimed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US claimed
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 WO claimed
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

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-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MAPK3, MAPK1, MAP3K1 MAPK1 2/4885MAPK3 1/4885MAP2K2 58/4885

“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.