SCHEMBL861455

SCHEMBL861455

OCCn1nc(Nc2cccc(C(F)(F)F)c2)nc1-c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.52
▸ CTSC P53634 3/20 0.46
▸ IDH2 P48735 9/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NTRK1 P04629 3/20 0.45
▸ NTRK2 Q16620 1/20 0.45
▸ PIKFYVE Q9Y2I7 1/20 0.43
▸ KDR P35968 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ AURKA O14965 3/20 0.43
▸ ESYT2 A0FGR8 2/20 0.43
▸ NBAS A2RRP1 2/20 0.43
▸ CNOT1 A5YKK6 2/20 0.43
▸ TBKBP1 A7MCY6 2/20 0.43
▸ AGPS O00116 2/20 0.43
▸ MYO1F O00160 2/20 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
SCHEMBL827669 0.90 IDH2 (0.47) KIF11CTSCIDH2MAPTKDR
SCHEMBL9217042 0.85 CTSC (0.44) CTSCIDH2AURKA
SCHEMBL14402632 0.84 KIF11 (0.52) KIF11CTSCIDH2MEN1KMT2A
SCHEMBL827670 0.83 AURKA (0.46) CTSCIDH2KDRFLT1FLT4
SCHEMBL827730 0.80 CLK1 (0.51) IDH2MEN1KMT2AMAPTLMNA
SCHEMBL827754 0.78 IDH2 (0.46) KIF11CTSCIDH2KDRFLT1
SCHEMBL827924 0.78 IDH2 (0.44) KIF11CTSCIDH2MAPTKDR
SCHEMBL827571 0.78 SMG1 (0.66) CDK1BRAFAKT1MTORRAF1
SCHEMBL827744 0.77 MAPT (0.47) KIF11CTSCIDH2KMT2AMAPT
SCHEMBL827752 0.77 IDH2 (0.44) KIF11CTSCIDH2MAPTKDR

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 3 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-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 KIF11 3247/4885CTSC 1824/4885IDH2 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.

Send feedback