SCHEMBL2223511

SCHEMBL2223511

CN1CCC(COc2cnc(-c3cccc(Cl)c3)nc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 2/20 0.52
▸ NQO2 P16083 1/20 0.52
▸ AVPR1B P47901 1/20 0.48
▸ CXCR1 P25024 1/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.44
▸ CHRM3 P20309 5/20 0.44
▸ EGFR P00533 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL13449240 0.87 MET (0.53) METNQO2CXCR1HRH3CHRM3
SCHEMBL31495102 0.87 MET (0.53) METNQO2CXCR1HRH3CHRM3
SCHEMBL2351356 0.85 CYP4F2 (0.49) METNQO2AVPR1BHRH3
SCHEMBL22309754 0.85 MET (0.58) METNQO2CXCR1HRH3
SCHEMBL13274935 0.84 HRH3 (0.43) METNQO2AVPR1BHRH3CHRM3
SCHEMBL12547598 0.84 MET (0.57) METNQO2CXCR1HRH3
SCHEMBL1296276 0.84 MET (0.57) METNQO2CXCR1HRH3CHRM3
SCHEMBL31495087 0.84 MET (0.57) METNQO2CXCR1HRH3
SCHEMBL2457792 0.83 MET (0.80) METNQO2HRH3
SCHEMBL23344107 0.83 MET (0.54) METNQO2CXCR1HRH3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 — — EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 — — 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 MET 2/4885NQO2 1984/4885AVPR1B 4850/4885

“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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