SCHEMBL10218199

SCHEMBL10218199

COc1ccccc1-c1nc(COc2cc(-c3ccc(C(=O)N4CC(C)NC(C)C4)cc3)cnc2N)no1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 7/20 0.47
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SMPD1 P17405 5/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ MAP4K3 Q8IVH8 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ GHSR Q92847 1/20 0.38
▸ ATR Q13535 1/20 0.38
▸ TSHR P16473 1/20 0.37

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
SCHEMBL10217455 0.85 MET (0.49) METNPC1RAB9ANPSR1TDP1
SCHEMBL10218193 0.84 MET (0.49) METSMPD1MAP4K4GHSR
SCHEMBL10218202 0.84 MET (0.48) METNPC1NPSR1L3MBTL1SMPD1
SCHEMBL10218434 0.81 MET (0.49) METMAP4K4KCNH2ATR
SCHEMBL30453566 0.80 MAP4K4 (0.64) METMAP4K4MAP4K3ATR
SCHEMBL488686 0.80 MAP4K4 (0.64) METMAP4K4MAP4K3ATR
SCHEMBL488598 0.79 MET (0.55) METMAP4K4MAP4K3ATR
SCHEMBL30453727 0.79 MET (0.55) METMAP4K4MAP4K3ATR
SCHEMBL10218431 0.79 MET (0.55) METMAP4K4KCNH2
SCHEMBL10218403 0.79 MET (0.51) METNPC1RAB9ATDP1L3MBTL1

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 1/4885NPC1 3437/4885RAB9A 2752/4885

“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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