SCHEMBL10217835

SCHEMBL10217835

Nc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1OCc1cc(-c2ccccc2)no1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 3/20 0.52
▸ MET P08581 8/20 0.51
▸ MERTK Q12866 3/20 0.48
▸ AXL P30530 2/20 0.48
▸ AVPR2 P30518 1/20 0.47
▸ AVPR1A P37288 1/20 0.47
▸ L3MBTL3 Q96JM7 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAP4K4 O95819 1/20 0.45
▸ ACACB O00763 2/20 0.44
▸ ACACA Q13085 2/20 0.44

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
SCHEMBL10217944 0.93 MET (0.56) ATRMETMERTKAXLL3MBTL3
SCHEMBL10217485 0.89 MET (0.54) ATRMETMERTKAXL
SCHEMBL10216178 0.87 MET (0.63) ATRMETMERTKAXLAVPR2
SCHEMBL10218002 0.87 MET (0.51) ATRMETMERTKAXLAVPR2
SCHEMBL30452977 0.86 MET (0.66) ATRMETMERTKAXLAVPR2
SCHEMBL488613 0.86 MET (0.66) ATRMETMERTKAXLAVPR2
SCHEMBL10217839 0.85 MET (0.52) ATRMETMERTKAXL
SCHEMBL10217711 0.85 MET (0.60) ATRMETMERTKAXLAVPR2
SCHEMBL10217804 0.84 GABRA5 (0.57) ATRMETMERTKAXLAVPR2
SCHEMBL10217423 0.84 MET (0.54) ATRMETMERTKAXLAVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 — — US disclosed
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 — — US disclosed
US-7230098-B2 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. (US) 2007-06-12 — — US disclosed
US-7230098-B2 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. (US) 2007-06-12 — — US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 — — US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 — — 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-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 ATR 1416/4885MET 1/4885MERTK 69/4885

“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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