SCHEMBL3968481

SCHEMBL3968481

Oc1ccc(-c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.57
COMT P21964 1/20 0.46
MAP4K4 O95819 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK2 Q92630 1/20 0.41
SCN2A Q99250 2/20 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
SCHEMBL30357010 0.83 KMT2A (0.52) KIF11COMT
SCHEMBL525257 0.83 KMT2A (0.52) KIF11COMT
SCHEMBL11468663 0.82 KIF11 (0.59) KIF11COMTMAP4K4CA12CA9
SCHEMBL28974294 0.81 KMT2A (0.50) KIF11COMT
SCHEMBL17806574 0.80 KIF11 (0.52) KIF11CA12CA9
SCHEMBL3098901 0.80 MEN1 (0.44) MAP4K4
SCHEMBL30619390 0.80 MEN1 (0.44) MAP4K4
SCHEMBL18078706 0.78 KDM1A (0.57) KIF11CA12CA9ALOX5APFEN1
SCHEMBL1744141 0.76 KIF11 (0.52) KIF11MAP4K4CA12CA9DYRK1A
SCHEMBL4412958 0.76 KIF11 (0.52) KIF11MAP4K4CA12CA9SCN2A

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-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 WO 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 (2 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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 KIF11 3920/4885COMT 786/4885MAP4K4 1360/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 KIF11 3920/4885COMT 786/4885MAP4K4 1360/4885

“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.