SCHEMBL4463013

SCHEMBL4463013

CC1C(c2cccnc2)OC(=O)N1c1ccc(-c2ccccc2)c(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.41
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
FADS1 O60427 5/20 0.38
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
CETP P11597 2/20 0.35
MTOR P42345 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL4472187 0.82 GRM2 (0.36) FADS1CETP
SCHEMBL4463022 0.82 MDM2 (0.39) TNKSCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL4449982 0.73 HDAC1 (0.39)
SCHEMBL4445382 0.69 DHODH (0.46) CETPKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL4474713 0.67 PDE3B (0.39)
SCHEMBL4460627 0.67 ALDH1A1 (0.43) KDM4EALDH1A1
SCHEMBL4472192 0.67 GRM2 (0.35) PTGDR2CETP
SCHEMBL4445293 0.66 ALDH1A1 (0.42) KDM4EALDH1A1CYP3A4
SCHEMBL15744020 0.66 KDM4E (0.49) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL15744004 0.66 KDM4E (0.49) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19

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-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 TNKS 3250/4885PIK3CA 1781/4885PIK3CB 2162/4885

“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.