SCHEMBL12303350

SCHEMBL12303350

COC(=O)c1cc(Oc2ncccc2C(F)(F)F)c(F)cc1NCc1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 5/20 0.49
▸ CARM1 Q86X55 2/20 0.44
▸ PRMT6 Q96LA8 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ P2RX7 Q99572 5/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ BDKRB1 P46663 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38

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 0.92 P2RY1 (0.50) P2RY1CARM1PRMT6MAPTKDM4E
SCHEMBL12819968 0.89 P2RY1 (0.45) P2RY1CARM1PRMT6MAPTKDM4E
SCHEMBL11922609 0.80 P2RY1 (0.46) P2RY1CARM1PRMT6MAPTROCK2
SCHEMBL12303836 0.79 KDM4E (0.48) P2RY1CARM1KDM4EKCNH2MEN1
SCHEMBL11991497 0.79 P2RY1 (0.43) P2RY1CARM1PRMT6MAPTROCK2
SCHEMBL12303378 0.79 CYP2C19 (0.43) P2RY1CARM1PRMT6KDM4EMEN1
SCHEMBL13044770 0.78 CFTR (0.53) P2RY1MAPTKDM4EROCK2
SCHEMBL11922625 0.77 P2RY1 (0.43) P2RY1
SCHEMBL12303357 0.74 AURKA (0.41) MAPTKDM4EMEN1KMT2AAURKA
SCHEMBL12303674 0.72 P2RY1 (0.48) P2RY1KDM4EMEN1CYP1A2CYP2C19

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-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

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 P2RY1 1687/4885CARM1 3715/4885PRMT6 1023/4885

“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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