SCHEMBL4131971

SCHEMBL4131971

NC(=O)c1ccc2c(c1)[nH]c1cc(C(F)(F)F)ccc12

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.63
MAP2K4 P45985 1/20 0.52
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
CHEK2 O96017 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL30749758 0.85 PARP1 (0.57) KIF11CHEK2
SCHEMBL19785406 0.81 KIF11 (0.81) KIF11CA12CA9MAPT
SCHEMBL4126314 0.79 ALDH1A1 (0.58) KIF11MAPT
SCHEMBL11810570 0.78 KIF11 (0.57) KIF11MAPT
SCHEMBL4132335 0.78 KIF11 (1.00) KIF11CA12CA9
SCHEMBL27283386 0.77 KIF11 (0.55) KIF11MAP2K4CA12CA9MAPT
SCHEMBL3197218 0.77 KIF11 (0.55) KIF11MAP2K4CA12CA9MAPT
SCHEMBL30202297 0.77 HTR7 (0.68) KIF11
SCHEMBL1181911 0.77 HTR7 (0.68) KIF11
SCHEMBL28166037 0.76 KIF11 (0.53) KIF11CA12CA9MAPT

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-20090170882-A1 Methods and compositions CYTOKINETICS, INCORPORATED 2009-07-02 US disclosed
EP-1771176-A2 METHODS AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-11 EP disclosed
WO-2006005063-A2 METHODS AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-01-12 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 (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-20090170882-A1 Methods and compositions KIF5B, KIF5C, KIF2C KIF11 10/4885MAP2K4 1001/4885CA12 3383/4885

“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.