SCHEMBL1392115

SCHEMBL1392115

O=C(C1CCCC1)N1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(OCC(F)(F)F)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 14/20 0.59
MAPT P10636 1/20 0.55
POLB P06746 1/20 0.51
APP P05067 1/20 0.51
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1391747 0.99 IDH2 (0.58) IDH2MAPTPOLBAPPUSP2
SCHEMBL1392081 0.97 IDH2 (0.60) IDH2MAPTPOLBAPPUSP2
SCHEMBL1392495 0.93 IDH2 (0.57) IDH2MAPTPOLBAPPUSP2
SCHEMBL1392222 0.93 IDH2 (0.56) IDH2MAPTPOLBAPPUSP2
SCHEMBL1391746 0.90 IDH2 (0.55) IDH2MAPTAPPUSP2SMN1; SMN2
SCHEMBL1392582 0.90 IDH2 (0.59) IDH2MAPTPOLBAPPUSP2
SCHEMBL1392460 0.89 IDH2 (0.54) IDH2MAPTAPPUSP2SMN1; SMN2
SCHEMBL1391778 0.89 IDH2 (0.54) IDH2MAPTAPPUSP2SMN1; SMN2
SCHEMBL1392858 0.88 IDH2 (0.58) IDH2POLBAPP
SCHEMBL1391554 0.88 MAPT (0.56) 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 5 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
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 3654/4885POLB 2680/4885

“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.