SCHEMBL5838540

SCHEMBL5838540

COCC1CCCN1C(=O)c1cc2nccc(Oc3ccc4c(c3)cc(C)n4CC=O)c2s1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
KDR P35968 17/20 0.39
FLT1 P17948 12/20 0.39
CNR2 P34972 1/20 0.34
MET P08581 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL5839523 0.92 RAB9A (0.41) RAB9AKDRFLT1CNR2RAF1
SCHEMBL5839532 0.92 RAB9A (0.41) RAB9AKDRFLT1CNR2RAF1
SCHEMBL5839384 0.89 RAB9A (0.42) RAB9AKDRFLT1CNR2RAF1
SCHEMBL5839380 0.89 RAB9A (0.42) RAB9AKDRFLT1CNR2RAF1
SCHEMBL5838145 0.88 RAB9A (0.43) RAB9AKDRFLT1CNR2MET
SCHEMBL6634721 0.88 RAB9A (0.43) RAB9AKDRFLT1CNR2MET
SCHEMBL6747154 0.88 RAB9A (0.43) RAB9AKDRFLT1CNR2MET
SCHEMBL5838139 0.88 RAB9A (0.43) RAB9AKDRFLT1CNR2MET
SCHEMBL5839113 0.87 RAB9A (0.41) RAB9AKDRFLT1CNR2
SCHEMBL5839109 0.87 RAB9A (0.41) RAB9AKDRFLT1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995171-B2 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents AGOURON PHARMACEUTICALS, INC. (US) 2006-02-07 US disclosed
US-20040171590-A1 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents AUTRY CHRISTOPHER (US) 2004-09-02 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-20040171590-A1 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents TK1, TYMP, DPYD RAB9A 2464/4885KDR 1886/4885FLT1 606/4885

“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.