SCHEMBL173673

SCHEMBL173673

O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CN(Cc2ccccc2)CCC12OCCO2

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.48
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
MAPK3 P27361 3/20 0.45
MAPK1 P28482 3/20 0.45
MAP2K2 P36507 1/20 0.45
MAP2K1 Q02750 1/20 0.45
MAPK6 Q16659 1/20 0.45

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 0.83 MAPK1 (0.56) PDPK1ROCK2ROCK1MAPK3MAPK1
SCHEMBL15022646 0.82 ROCK2 (0.68) ROCK2ROCK1MAPK3MAPK1MAP2K2
SCHEMBL15021912 0.82 ROCK2 (0.68) ROCK2ROCK1MAPK3MAPK1MAP2K2
SCHEMBL15021713 0.80 ROCK2 (0.50) ROCK2ROCK1MAPK3MAPK1MAP2K2
SCHEMBL15021797 0.80 ROCK2 (0.66) ROCK2ROCK1MAPK3MAPK1MAP2K2
SCHEMBL15022644 0.80 ROCK2 (0.50) ROCK2ROCK1MAPK3MAPK1MAP2K2
SCHEMBL173640 0.80 MAPK1 (0.56) ROCK2ROCK1MAPK3MAPK1MAP2K2
SCHEMBL15021878 0.80 ROCK2 (0.53) ROCK2ROCK1MAPK3MAPK1MAP2K2
SCHEMBL15021338 0.77 MAPK1 (0.53) PDPK1ROCK2ROCK1MAPK3MAPK1
SCHEMBL176241 0.76 MAPK1 (0.54) PDPK1MAPK3MAPK1MAP2K2MAP2K1

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-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 PDPK1 145/4885ROCK2 250/4885ROCK1 115/4885

“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.