SCHEMBL12303836

SCHEMBL12303836

NC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1NCc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ P2RY1 P47900 6/20 0.48
▸ KCNH2 Q12809 1/20 0.46
▸ RPS6KB1 P23443 2/20 0.44
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ MAPK10 P53779 2/20 0.43
▸ FPR2 P25090 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ MAPK8 P45983 1/20 0.41
▸ CARM1 Q86X55 1/20 0.41
▸ MAP2K7 O14733 1/20 0.40

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
SCHEMBL12303348 0.87 P2RY1 (0.50) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL12303376 0.86 RPS6KB1 (0.45) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL12303615 0.81 KCNH2 (0.51) P2RY1KCNH2RPS6KB1AURKAFPR2
SCHEMBL12303859 0.81 KDM4E (0.45) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL12303350 0.79 P2RY1 (0.49) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL12303374 0.79 CYP2C19 (0.45) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL12303378 0.78 CYP2C19 (0.43) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL12303858 0.77 KDM4E (0.43) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL12303610 0.76 SCN9A (0.48) KCNH2MAPK10FPR2SCN9AMAPK8
SCHEMBL12819968 0.76 P2RY1 (0.45) KDM4EMEN1CYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 — — US disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 — — US disclosed
WO-2011032277-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 — — WO 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-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E KDM4E 3158/4885MEN1 4804/4885CYP1A2 587/4885

“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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