SCHEMBL13449240

SCHEMBL13449240

Cc1cccc(-c2ncc(OCC3CCN(C)CC3)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 3/20 0.53
▸ NQO2 P16083 1/20 0.53
▸ CXCR1 P25024 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ CHRM3 P20309 4/20 0.43
▸ EGFR P00533 1/20 0.43
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ACHE P22303 1/20 0.39

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
SCHEMBL31495102 1.00 MET (0.53) METNQO2CXCR1HRH3KDM1A
SCHEMBL2223511 0.87 MET (0.52) METNQO2CXCR1HRH3CHRM3
SCHEMBL22309754 0.86 MET (0.58) METNQO2CXCR1HRH3MAOA
SCHEMBL31495087 0.85 MET (0.57) METNQO2CXCR1HRH3MAOA
SCHEMBL12547598 0.85 MET (0.57) METNQO2CXCR1HRH3MAOA
SCHEMBL1296276 0.85 MET (0.57) METNQO2CXCR1HRH3CHRM3
SCHEMBL31495099 0.84 KDM1A (0.62) KDM1AMAOB
SCHEMBL23344107 0.84 MET (0.54) METNQO2CXCR1HRH3KDM1A
SCHEMBL26792863 0.83 MET (0.54) METNQO2CXCR1HRH3KDM1A
SCHEMBL15672716 0.82 MAOA (0.52) CXCR1HRH3KDM1AEGFRMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — 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 (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 1984/4885CXCR1 2523/4885

“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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