SCHEMBL10236328

SCHEMBL10236328

N#Cc1ccccc1N1CCN(C(=O)CN2CCC(C(=O)Nc3ccc(O)cc3)C2)CC1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 20/20 0.64
▸ RPS6KA3 P51812 1/20 0.50

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
SCHEMBL10236186 0.89 MAPK1 (0.71) MAPK1RPS6KA3
SCHEMBL10236270 0.88 MAPK1 (0.74) MAPK1RPS6KA3
SCHEMBL10236272 0.87 MAPK1 (0.66) MAPK1RPS6KA3
SCHEMBL13092808 0.87 MAPK1 (0.66) MAPK1RPS6KA3
SCHEMBL10236303 0.84 MAPK1 (0.80) MAPK1RPS6KA3
SCHEMBL7880705 0.84 MAPK1 (0.80) MAPK1RPS6KA3
SCHEMBL13119007 0.83 MAPK1 (0.86) MAPK1RPS6KA3
SCHEMBL7878710 0.82 MAPK1 (0.44) MAPK1RPS6KA3
SCHEMBL7885989 0.81 MAPK1 (0.47) MAPK1RPS6KA3
SCHEMBL10236342 0.81 MAPK1 (0.68) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
EP-1984331-B1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORP (US) 2010-10-20 — — EP disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 — — US disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 — — US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 — — US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 — — 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 (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-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 MAPK1 1/4885RPS6KA3 129/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR MAPK1 277/4885RPS6KA3 14/4885

“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.

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