SCHEMBL829454

SCHEMBL829454

CN(C)C(=O)CCn1nc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 4/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
TRPV4 Q9HBA0 1/20 0.42
IDE P14735 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPK10 P53779 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ROCK2 O75116 1/20 0.41
GRK2 P25098 1/20 0.41
CTSC P53634 1/20 0.40
AURKA O14965 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
PLK1 P53350 1/20 0.40
CCNA1 P78396 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 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
SCHEMBL827996 0.90 PSEN1 (0.45) IDH2LMNARECQLAURKACDK2
SCHEMBL827573 0.89 AURKA (0.41) IDH2LMNARECQLAURKAFLT1
SCHEMBL827754 0.89 IDH2 (0.46) IDH2LMNARECQLIDEMAPK1
SCHEMBL10185924 0.88 TRPV4 (0.47) IDH2LMNARECQLTRPV4IDE
SCHEMBL827937 0.86 LMNA (0.43) IDH2LMNARECQLTRPV4IDE
SCHEMBL827669 0.85 IDH2 (0.47) IDH2LMNAIDEMAPK1MAPK10
SCHEMBL828927 0.84 MAPT (0.46) IDH2LMNARECQLTRPV4TP53
SCHEMBL860825 0.82 LMNA (0.52) IDH2LMNARECQLIDEMAPK1
SCHEMBL827744 0.82 MAPT (0.47) IDH2LMNAMAPK1MAPTCTSC
SCHEMBL827545 0.82 AURKA (0.48) IDH2LMNARECQLIDEMAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010516-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2014-07-02 EP claimed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US claimed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US claimed
EP-2010516-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2014-07-02 EP disclosed
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
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 3285/4885LMNA 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.