SCHEMBL827924

SCHEMBL827924

NCCCn1nc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 5/20 0.44
CTSC P53634 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
KIF11 P52732 1/20 0.44
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
AURKA O14965 2/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
BCDIN3D Q7Z5W3 1/20 0.41
SYK P43405 1/20 0.41
MAPK1 P28482 1/20 0.41
TDO2 P48775 1/20 0.41
APP P05067 1/20 0.40

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
SCHEMBL827669 0.88 IDH2 (0.47) IDH2CTSCABCG2KIF11FLT1
SCHEMBL827744 0.85 MAPT (0.47) IDH2CTSCABCG2KIF11FLT1
SCHEMBL827752 0.85 IDH2 (0.44) IDH2CTSCABCG2KIF11FLT1
SCHEMBL827754 0.84 IDH2 (0.46) IDH2CTSCABCG2KIF11FLT1
SCHEMBL827545 0.83 AURKA (0.48) IDH2CTSCABCG2KIF11FLT1
SCHEMBL10185924 0.82 TRPV4 (0.47) IDH2FLT1KDRMAPTLMNA
SCHEMBL829454 0.81 IDH2 (0.43) IDH2CTSCABCG2FLT1FLT4
SCHEMBL827743 0.81 IDH2 (0.42) IDH2CTSCABCG2KIF11FLT1
SCHEMBL827937 0.80 LMNA (0.43) IDH2FLT1KDRAURKALMNA
SCHEMBL860825 0.79 LMNA (0.52) IDH2CTSCABCG2MAPTLMNA

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-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 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-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 IDH2 3285/4885CTSC 1824/4885ABCG2 354/4885

“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.