SCHEMBL10218403

SCHEMBL10218403

CC1CN(C(=O)c2ccc(-c3cnc(N)c(OCc4cc(-c5ccccc5)no4)c3)cc2)CC(C)N1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 8/20 0.51
▸ MAP4K4 O95819 2/20 0.46
▸ ATR Q13535 3/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MPO P05164 1/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL10218102 0.89 MET (0.54) METMAP4K4NPC1RAB9ASMN1; SMN2
SCHEMBL488686 0.85 MAP4K4 (0.64) METMAP4K4ATRCCNCCDK8
SCHEMBL30453566 0.85 MAP4K4 (0.64) METMAP4K4ATRCCNCCDK8
SCHEMBL10218373 0.84 GABRA5 (0.56) METMAP4K4
SCHEMBL10218305 0.84 MAP4K4 (0.57) METMAP4K4SMN1; SMN2CCNCCDK8
SCHEMBL488598 0.83 MET (0.55) METMAP4K4ATRCCNCCDK8
SCHEMBL30453727 0.83 MET (0.55) METMAP4K4ATRCCNCCDK8
SCHEMBL10217835 0.83 ATR (0.52) METMAP4K4ATRL3MBTL1
SCHEMBL10218334 0.82 MET (0.51) METMAP4K4ATRNPC1RAB9A
SCHEMBL10218427 0.81 MET (0.51) METMAP4K4ATRCCNCCDK8

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 MET 1/4885MAP4K4 10/4885ATR 1416/4885

“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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