SCHEMBL1391778

SCHEMBL1391778

O=C(NC1CCCCC1)N1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(OCC(F)(F)F)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 13/20 0.54
MAPT P10636 1/20 0.52
APP P05067 1/20 0.51
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL1391746 0.99 IDH2 (0.55) IDH2MAPTAPPUSP2SMN1; SMN2
SCHEMBL1391783 0.92 IDH2 (0.54) IDH2MAPTAPPUSP2SMN1; SMN2
SCHEMBL1391747 0.90 IDH2 (0.58) IDH2MAPTAPPUSP2SMN1; SMN2
SCHEMBL1391918 0.89 IDH2 (0.56) IDH2MAPTAPPEPHX2
SCHEMBL1392115 0.89 IDH2 (0.59) IDH2MAPTAPPUSP2SMN1; SMN2
SCHEMBL1392517 0.89 IDH2 (0.57) IDH2MAPTAPPEPHX2
SCHEMBL1391968 0.88 MAPT (0.55) IDH2MAPTAPPUSP2SMN1; SMN2
SCHEMBL1392460 0.87 IDH2 (0.54) IDH2MAPTAPPUSP2SMN1; SMN2
SCHEMBL1391864 0.87 LMNA (0.56) IDH2MAPTAPPUSP2SMN1; SMN2
SCHEMBL1392081 0.87 IDH2 (0.60) IDH2MAPTAPPUSP2SMN1; SMN2

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-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 IDH2 1936/4885MAPT 3654/4885APP 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.