SCHEMBL1391538

SCHEMBL1391538

Fc1ccc(CNc2nc(Nc3cccc(Cl)c3)nc(OCC(F)(F)F)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KCNH3 Q9ULD8 7/20 0.52
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CFTR P13569 3/20 0.50
APP P05067 1/20 0.47
IDH1 O75874 1/20 0.46
IDH2 P48735 1/20 0.46
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
ADORA2A P29274 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL1391588 0.90 KCNH3 (0.55) CNR2KCNH3LMNATDP1MEN1
SCHEMBL1392183 0.88 APP (0.56) KCNH3LMNATDP1MEN1KMT2A
SCHEMBL1392147 0.88 KCNH3 (0.52) KCNH3LMNATDP1MEN1KMT2A
SCHEMBL1391297 0.88 KCNH3 (0.52) CYP1A2KCNH3LMNATDP1MEN1
SCHEMBL1391524 0.87 KCNH3 (0.70) KCNH3LMNATDP1MEN1KMT2A
SCHEMBL1391116 0.86 KCNH3 (0.55) KCNH3LMNATDP1MEN1KMT2A
SCHEMBL1395426 0.86 APP (0.53) KCNH3LMNATDP1MEN1KMT2A
SCHEMBL1392472 0.85 IDH2 (0.54) LMNATDP1MEN1KMT2AL3MBTL1
SCHEMBL1391528 0.85 KCNH3 (0.49) KCNH3LMNATDP1MEN1KMT2A
SCHEMBL1391177 0.85 MEN1 (0.51) KCNH3LMNATDP1MEN1KMT2A

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 4 patents. 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
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 US disclosed
EP-2231624-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF Progenics Pharmaceuticals, Inc. (US) 2010-09-29 EP disclosed
WO-2009091388-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF PROGENICS PHARMACEUTICALS, INC. (US) 2009-07-23 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-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof HAVCR2, ZC3HAV1, MAVS CNR2 2821/4885CYP1A2 412/4885CYP3A4 505/4885

“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.