SCHEMBL1392132

SCHEMBL1392132

FC(F)(F)c1ccc(CNc2nc(Cl)nc(Nc3ccc4cc[nH]c4c3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.47
▸ CRHR1 P34998 2/20 0.45
▸ APP P05067 4/20 0.45
▸ SYK P43405 1/20 0.42
▸ KCNH3 Q9ULD8 2/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ IDH2 P48735 1/20 0.39
▸ PDE2A O00408 1/20 0.39
▸ MET P08581 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
SCHEMBL1392367 0.86 ESR1 (0.44) ESR1CRHR1SYKKCNH3IDH2
SCHEMBL1391765 0.81 TDP1 (0.43) ESR1SYKKCNH3
SCHEMBL1391497 0.78 KCNH3 (0.49) ESR1SYKKCNH3
SCHEMBL1392426 0.77 MEN1 (0.45) ESR1CRHR1APPSYKKCNH3
SCHEMBL20511113 0.76 CA12 (0.54) CRHR1APPCA9PDE2A
SCHEMBL1392077 0.75 ESR1 (0.41) ESR1SYKKCNH3
SCHEMBL1391414 0.73 APP (0.78) APPKCNH3IDH2
SCHEMBL22803975 0.72 ESR1 (0.61) ESR1SYK
SCHEMBL1392057 0.72 KCNH3 (0.46) SYKKCNH3CA9
SCHEMBL27935508 0.71 NR1I2 (0.56) APPKCNH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 — — 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-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof HAVCR2, ZC3HAV1, MAVS ESR1 4654/4885CRHR1 3723/4885APP 4146/4885

“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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