SCHEMBL176069

SCHEMBL176069

N#Cc1ccc(CN2CCOC(C(=O)Nc3ccc4[nH]nc(-c5ccncc5)c4c3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 13/20 0.56
MAPK1 P28482 2/20 0.51
PDPK1 O15530 1/20 0.44
MAPK3 P27361 1/20 0.43
MAP2K2 P36507 1/20 0.43
MAP2K1 Q02750 1/20 0.43
MAPK6 Q16659 1/20 0.43

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
SCHEMBL178032 0.92 LRRK2 (0.58) LRRK2MAPK1
SCHEMBL173256 0.90 MAPK1 (0.53) LRRK2MAPK1PDPK1MAPK3MAP2K2
SCHEMBL173759 0.90 MAPK1 (0.56) MAPK1PDPK1MAPK3MAP2K2MAP2K1
SCHEMBL15021943 0.88 MAPK1 (0.53) LRRK2MAPK1PDPK1MAPK3MAP2K2
SCHEMBL15021911 0.88 MAPK1 (0.51) LRRK2MAPK1PDPK1MAPK3MAP2K2
SCHEMBL15021560 0.88 MAPK1 (0.51) LRRK2MAPK1PDPK1MAPK3MAP2K2
SCHEMBL15021853 0.87 MAPK1 (0.54) MAPK1PDPK1MAPK3MAP2K2MAP2K1
SCHEMBL170847 0.86 MAPK1 (0.52) LRRK2MAPK1MAPK3MAP2K2MAP2K1
SCHEMBL15021338 0.86 MAPK1 (0.53) MAPK1PDPK1MAPK3MAP2K2MAP2K1
SCHEMBL15021550 0.86 MAPK1 (0.52) LRRK2MAPK1PDPK1MAPK3MAP2K2

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 13 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
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US claimed
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 EP 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
EP-2613782-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-17 EP 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 (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 LRRK2 339/4885MAPK1 2/4885PDPK1 145/4885

“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.