SCHEMBL827937

SCHEMBL827937

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ SYK P43405 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ AURKA O14965 7/20 0.43
▸ IDE P14735 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ IDH2 P48735 2/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.40
▸ PIN1 Q13526 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ GRK2 P25098 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
SCHEMBL10185924 0.90 TRPV4 (0.47) LMNARECQLIDEMAPK1MAPK10
SCHEMBL827754 0.87 IDH2 (0.46) LMNARECQLAURKAIDEMAPK1
SCHEMBL829454 0.86 IDH2 (0.43) LMNASYKRECQLAURKAIDE
SCHEMBL827669 0.83 IDH2 (0.47) LMNAAURKAIDEMAPK1MAPK10
SCHEMBL860825 0.83 LMNA (0.52) LMNARECQLIDEMAPK1MAPK10
SCHEMBL827545 0.81 AURKA (0.48) LMNASYKRECQLAURKAIDE
SCHEMBL827744 0.81 MAPT (0.47) LMNAAURKAMAPK1IDH2FLT1
SCHEMBL827924 0.80 IDH2 (0.44) LMNASYKAURKAMAPK1IDH2
SCHEMBL827752 0.79 IDH2 (0.44) LMNAAURKAMAPK1IDH2FLT1
SCHEMBL827974 0.79 PSEN1 (0.47) LMNARECQLAURKAIDH2FLT1

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 LMNA 4583/4885SYK 3101/4885RECQL 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.

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