SCHEMBL12303841

SCHEMBL12303841

CN(C)c1cc2c(cc1Oc1ncccc1C(F)(F)F)c(=O)ncn2Cc1ccc(F)cc1F

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.62
▸ CYP2C19 P33261 3/20 0.55
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ P2RY1 P47900 3/20 0.39
▸ NR3C1 P04150 1/20 0.35
▸ PPARG P37231 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ MAPK14 Q16539 2/20 0.32

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
SCHEMBL12304393 0.93 KCNH2 (0.73) KCNH2CYP2C19CYP3A4CYP2C9P2RY1
SCHEMBL12303356 0.91 KCNH2 (0.67) KCNH2CYP2C19CYP3A4CYP2C9P2RY1
SCHEMBL12303358 0.88 KCNH2 (0.64) KCNH2CYP2C19CYP3A4CYP2C9P2RY1
SCHEMBL12818227 0.87 KCNH2 (0.63) KCNH2CYP2C19CYP3A4CYP2C9P2RY1
SCHEMBL12304384 0.83 KCNH2 (0.79) KCNH2CYP2C19CYP3A4CYP2C9P2RY1
SCHEMBL12303712 0.76 KCNH2 (0.74) KCNH2CYP2C19CYP3A4CYP2C9P2RY1
SCHEMBL12303380 0.74 CYP2C19 (0.81) KCNH2CYP2C19CYP3A4CYP2C9NR3C1
SCHEMBL12303781 0.72 CYP2C19 (0.66) KCNH2CYP2C19CYP3A4CYP2C9NR3C1
SCHEMBL12303697 0.72 KCNH2 (0.67) KCNH2CYP2C19CYP3A4CYP2C9P2RY1
SCHEMBL12303381 0.71 CYP2C19 (0.67) 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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