SCHEMBL616991

SCHEMBL616991

COc1cc(OC)c2cnc(-c3ccc(N4CCN(C(C)=O)C(C)C4)cc3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 1/20 0.42
FAAH O00519 2/20 0.40
SYK P43405 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKG1 Q13976 1/20 0.40
NTSR1 P30989 1/20 0.39
MTOR P42345 2/20 0.38
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
TRPC6 Q9Y210 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
KIT P10721 3/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
WNT3A P56704 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
SCHEMBL617761 0.79 TGFBR1 (0.48) NTSR1PDGFRBPDGFRA
SCHEMBL30459652 0.78 TGFBR1 (0.54)
SCHEMBL1304918 0.78 MTOR (0.52) NTSR1MTORTSHR
SCHEMBL15328156 0.78 TGFBR1 (0.54)
SCHEMBL377847 0.77 BRD4 (0.52)
SCHEMBL31115577 0.77 BRD4 (0.52)
SCHEMBL618467 0.77 MEN1 (0.49) TRPC6USP2TSHR
SCHEMBL618561 0.77 MAP4K1 (0.49) NTSR1MTOR
SCHEMBL15328365 0.74 CHRNB2 (0.51)
SCHEMBL615975 0.73 EHMT2 (0.40) NTSR1MTORPDGFRBPDGFRA

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-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 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-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SUV39H2 1048/4885FAAH 1036/4885SYK 747/4885

“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.