SCHEMBL827545

SCHEMBL827545

NC(=O)Cn1nc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.48
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
IDE P14735 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPK10 P53779 1/20 0.45
IDH2 P48735 2/20 0.44
KIF11 P52732 2/20 0.43
CTSC P53634 1/20 0.43
SYK P43405 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
PLK1 P53350 1/20 0.43
CCNA1 P78396 1/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL860825 0.88 LMNA (0.52) LMNARECQLIDEMAPK1MAPK10
SCHEMBL827754 0.85 IDH2 (0.46) AURKALMNARECQLIDEMAPK1
SCHEMBL827669 0.85 IDH2 (0.47) AURKALMNAIDEMAPK1MAPK10
SCHEMBL827549 0.83 TP53 (0.48) LMNARECQLIDEMAPK1MAPK10
SCHEMBL827924 0.83 IDH2 (0.44) AURKALMNAMAPK1IDH2KIF11
SCHEMBL10185924 0.83 TRPV4 (0.47) LMNARECQLIDEMAPK1MAPK10
SCHEMBL827934 0.82 MAPT (0.49) AURKALMNARECQLCDK2FLT1
SCHEMBL829454 0.82 IDH2 (0.43) AURKALMNARECQLIDEMAPK1
SCHEMBL827733 0.81 MPO (0.46) AURKALMNARECQLIDH2KIF11
SCHEMBL827937 0.81 LMNA (0.43) AURKALMNARECQLIDEMAPK1

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 AURKA 1533/4885LMNA 4583/4885RECQL 2748/4885

“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.