SCHEMBL827744

SCHEMBL827744

COCCn1nc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
IDH2 P48735 6/20 0.46
ABCG2 Q9UNQ0 2/20 0.43
CTSC P53634 1/20 0.43
KIF11 P52732 1/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
AURKA O14965 2/20 0.42
APP P05067 2/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL827743 0.88 IDH2 (0.42) MAPTLMNAMAPK1IDH2ABCG2
SCHEMBL827669 0.87 IDH2 (0.47) MAPTLMNAMAPK1IDH2ABCG2
SCHEMBL827924 0.85 IDH2 (0.44) MAPTLMNAMAPK1IDH2ABCG2
SCHEMBL827549 0.85 TP53 (0.48) MAPTLMNAMAPK1
SCHEMBL827752 0.84 IDH2 (0.44) MAPTLMNAMAPK1IDH2ABCG2
SCHEMBL827754 0.83 IDH2 (0.46) LMNAMAPK1IDH2ABCG2CTSC
SCHEMBL10185924 0.83 TRPV4 (0.47) MAPTLMNAMAPK1IDH2FLT1
SCHEMBL829454 0.82 IDH2 (0.43) MAPTLMNAMAPK1IDH2ABCG2
SCHEMBL827937 0.81 LMNA (0.43) LMNAMAPK1IDH2FLT1KDR
SCHEMBL860825 0.80 LMNA (0.52) MAPTLMNAMAPK1IDH2ABCG2

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 MAPT 1731/4885LMNA 4583/4885MAPK1 2052/4885

“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.