SCHEMBL12303358

SCHEMBL12303358

COc1cc2c(cc1Oc1ncccc1C(F)(F)F)c(=O)ncn2Cc1ccc(F)cc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.64
▸ CYP2C19 P33261 3/20 0.62
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ NR3C1 P04150 2/20 0.41
▸ TRPA1 O75762 1/20 0.40
▸ P2RY1 P47900 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ P2RX7 Q99572 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ NR3C2 P08235 1/20 0.36

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
SCHEMBL12303356 0.92 KCNH2 (0.67) KCNH2CYP2C19CYP3A4CYP2C9NR3C1
SCHEMBL12818227 0.89 KCNH2 (0.63) KCNH2CYP2C19CYP3A4CYP2C9NR3C1
SCHEMBL12303841 0.88 KCNH2 (0.62) KCNH2CYP2C19CYP3A4CYP2C9NR3C1
SCHEMBL12304384 0.84 KCNH2 (0.79) KCNH2CYP2C19CYP3A4CYP2C9P2RY1
SCHEMBL12304393 0.81 KCNH2 (0.73) KCNH2CYP2C19CYP3A4CYP2C9P2RY1
SCHEMBL12303712 0.77 KCNH2 (0.74) KCNH2CYP2C19CYP3A4CYP2C9NR3C1
SCHEMBL12303380 0.75 CYP2C19 (0.81) KCNH2CYP2C19CYP3A4CYP2C9NR3C1
SCHEMBL12303697 0.73 KCNH2 (0.67) KCNH2CYP2C19CYP3A4CYP2C9NR3C1
SCHEMBL12303381 0.72 CYP2C19 (0.67) KCNH2CYP2C19CYP3A4CYP2C9NR3C1
SCHEMBL12303781 0.71 CYP2C19 (0.66) KCNH2CYP2C19CYP3A4CYP2C9NR3C1

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 KCNH2 3631/4885CYP2C19 712/4885CYP3A4 745/4885

“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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