SCHEMBL827573

SCHEMBL827573

CN(C)C(=O)CCn1nc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccnc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 12/20 0.41
▸ SYK P43405 2/20 0.40
▸ IDH2 P48735 1/20 0.40
▸ APP P05067 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ FLT1 P17948 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ MAPK8 P45983 1/20 0.39

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 0.92 PSEN1 (0.45) AURKASYKIDH2LMNARECQL
SCHEMBL829454 0.89 IDH2 (0.43) AURKASYKIDH2LMNARECQL
SCHEMBL827670 0.86 AURKA (0.46) AURKAIDH2APPFLT1FLT4
SCHEMBL828927 0.82 MAPT (0.46) IDH2LMNARECQLFLT1
SCHEMBL827974 0.82 PSEN1 (0.47) AURKAIDH2LMNARECQLFLT1
SCHEMBL827760 0.81 CDK4 (0.41) FLT1FLT4KDR
SCHEMBL827668 0.80 CYP1A2 (0.38) KDR
SCHEMBL827754 0.78 IDH2 (0.46) AURKAIDH2LMNARECQLFLT1
SCHEMBL10185924 0.77 TRPV4 (0.47) IDH2LMNARECQLFLT1KDR
SCHEMBL827937 0.75 LMNA (0.43) AURKASYKIDH2LMNARECQL

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 1533/4885SYK 3101/4885IDH2 3285/4885

“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.

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