SCHEMBL4437487

SCHEMBL4437487

CC(CI)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(-c3cn(CCCN)c(C(C)(C)C)n3)cc2)cc1C#N

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 2/20 0.56
S1PR1 P21453 5/20 0.33
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
AVPR1B P47901 1/20 0.30
XDH P47989 2/20 0.30

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
SCHEMBL2105635 0.94 CENPE (0.64) CENPES1PR1S1PR3S1PR5XDH
SCHEMBL4434702 0.89 CENPE (0.65) CENPES1PR1S1PR3S1PR5XDH
SCHEMBL13161915 0.89 CENPE (0.65) CENPES1PR1S1PR3S1PR5XDH
SCHEMBL2104363 0.87 CENPE (0.68) CENPES1PR1S1PR3S1PR5XDH
SCHEMBL2103780 0.87 CENPE (0.68) CENPES1PR1S1PR3S1PR5XDH
SCHEMBL4441782 0.84 CENPE (0.68) CENPES1PR1S1PR3S1PR5XDH
SCHEMBL13161504 0.84 CENPE (0.68) CENPES1PR1S1PR3S1PR5XDH
SCHEMBL13637408 0.84 CENPE (0.51) CENPES1PR1
SCHEMBL2105975 0.84 CENPE (0.63) CENPES1PR1S1PR3S1PR5XDH
SCHEMBL13161893 0.84 CENPE (0.60) CENPES1PR1S1PR3S1PR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618981-B2 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide CYTOKINETICS, INC. (US) 2009-11-17 US disclosed
US-20060094708-A1 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide CYTOKINETICS, INCORPORATED 2006-05-04 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-20060094708-A1 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide KIF5B, KIF18A, KIF2C CENPE 522/4885S1PR1 2246/4885S1PR3 2545/4885

“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.