SCHEMBL12303697

SCHEMBL12303697

O=c1ncn(Cc2ccc(F)cc2-c2cccnc2)c2ccc(Oc3ncccc3C(F)(F)F)cc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.67
▸ CYP2C19 P33261 3/20 0.54
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ DRD1 P21728 3/20 0.40
▸ KCNA5 P22460 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ MKNK1 Q9BUB5 2/20 0.34
▸ MKNK2 Q9HBH9 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ P2RY1 P47900 1/20 0.34
▸ NR3C1 P04150 1/20 0.34

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
SCHEMBL12303712 0.86 KCNH2 (0.74) KCNH2CYP2C19CYP3A4CYP2C9DRD1
SCHEMBL12332796 0.83 KCNH2 (0.68) KCNH2CYP2C19CYP3A4CYP2C9DRD1
SCHEMBL12304389 0.81 KCNH2 (0.73) KCNH2CYP2C19CYP3A4CYP2C9DRD1
SCHEMBL12303644 0.80 KCNH2 (0.63) KCNH2CYP2C19CYP3A4CYP2C9DRD1
SCHEMBL12303641 0.80 KCNH2 (0.72) KCNH2CYP2C19CYP3A4CYP2C9DRD1
SCHEMBL12303626 0.78 KCNH2 (0.84) KCNH2CYP2C19CYP3A4CYP2C9DRD1
SCHEMBL12303684 0.77 KCNH2 (0.71) KCNH2CYP2C19CYP3A4CYP2C9DRD1
SCHEMBL12303616 0.77 KCNH2 (0.84) KCNH2CYP2C19CYP3A4CYP2C9DRD1
SCHEMBL12819333 0.77 CYP2C19 (0.64) KCNH2CYP2C19CYP3A4CYP2C9GRIN1
SCHEMBL12303781 0.77 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 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 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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