SCHEMBL10236342

SCHEMBL10236342

O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(c3ncccn3)CC2)C1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 18/20 0.68
▸ MAPK3 P27361 1/20 0.54
▸ MAP2K2 P36507 1/20 0.54
▸ MAP2K1 Q02750 1/20 0.54
▸ MAPK6 Q16659 1/20 0.54

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
SCHEMBL10236229 0.89 MAPK1 (0.65) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL13092842 0.87 MAPK1 (0.77) MAPK1
SCHEMBL13119007 0.86 MAPK1 (0.86) MAPK1
SCHEMBL10236303 0.85 MAPK1 (0.80) MAPK1
SCHEMBL7880705 0.85 MAPK1 (0.80) MAPK1
SCHEMBL7874429 0.84 MAPK1 (0.65) MAPK1
SCHEMBL10236270 0.84 MAPK1 (0.74) MAPK1
SCHEMBL13118986 0.83 MAPK1 (0.85) MAPK1
SCHEMBL10280541 0.83 MAPK1 (0.71) MAPK1
SCHEMBL10236332 0.83 MAPK1 (0.71) 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 8 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
WO-2007097937-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2007-08-30 — — 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-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 MAPK1 1/4885MAPK3 7/4885MAP2K2 23/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR MAPK1 277/4885MAPK3 489/4885MAP2K2 1321/4885

“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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