SCHEMBL1391823

SCHEMBL1391823

CCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(N2CCCCCC2)n1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 12/20 0.74
MAPT P10636 2/20 0.72
LMNA P02545 3/20 0.57
MEN1 O00255 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
USP2 O75604 1/20 0.56
MAPK1 P28482 1/20 0.54
APP P05067 1/20 0.52
HTT P42858 1/20 0.51

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
SCHEMBL1391661 1.00 IDH2 (0.74) IDH2MAPTLMNAMEN1ALOX15
SCHEMBL1392745 0.99 MAPT (0.73) IDH2MAPTLMNAMEN1ALOX15
SCHEMBL1392467 0.91 USP2 (0.68) IDH2MAPTLMNASMN1; SMN2USP2
SCHEMBL1392191 0.91 IDH2 (0.76) IDH2MAPTLMNAMEN1ALOX15
SCHEMBL1392991 0.91 IDH2 (0.76) IDH2MAPTLMNAMEN1ALOX15
SCHEMBL1391666 0.90 SMN1; SMN2 (0.70) IDH2MAPTLMNAMEN1KMT2A
SCHEMBL1392169 0.90 MAPT (0.60) IDH2MAPTLMNAMEN1KMT2A
SCHEMBL1392681 0.90 MAPT (0.75) IDH2MAPTLMNAMEN1ALOX15
SCHEMBL1392895 0.88 MAPT (0.71) IDH2MAPTLMNAMEN1ALOX15
SCHEMBL1391514 0.88 MAPT (0.57) IDH2MAPTLMNAMEN1ALOX15

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 3654/4885LMNA 3218/4885

“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.