SCHEMBL2630622

SCHEMBL2630622

CCOc1ccc(C(=O)N[C@H](CCO)Cc2ccc(-c3cn(C)c(C(C)=O)n3)cc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 2/20 0.46
MAPT P10636 5/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TAS1R3 Q7RTX0 6/20 0.38
TAS1R1 Q7RTX1 6/20 0.38
POLB P06746 3/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL4773463 0.94 CENPE (0.45) CENPEMAPTALDH1A1TAS1R3TAS1R1
SCHEMBL2104302 0.91 CENPE (0.55) CENPETAS1R3TAS1R1ITGA4ITGB7
SCHEMBL2104300 0.91 CENPE (0.55) CENPETAS1R3TAS1R1ITGA4ITGB7
SCHEMBL3233006 0.90 CENPE (0.45) CENPETAS1R3TAS1R1ITGB1ITGA4
SCHEMBL2617427 0.87 CENPE (0.47) CENPETAS1R3TAS1R1ITGA4ITGB7
SCHEMBL3228894 0.87 CENPE (0.47) CENPETAS1R3TAS1R1ITGA4ITGB7
SCHEMBL3213587 0.87 CENPE (0.47) CENPETAS1R3TAS1R1ITGA4ITGB7
SCHEMBL3461049 0.87 CENPE (0.47) CENPETAS1R3TAS1R1ITGA4ITGB7
SCHEMBL3233585 0.85 CENPE (0.41) CENPEMAPTALDH1A1TAS1R3TAS1R1
SCHEMBL3223158 0.85 CENPE (0.39) CENPEMAPTALDH1A1TAS1R3TAS1R1

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-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC 2009-12-10 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-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 CENPE 50/4885MAPT 330/4885ALDH1A1 1977/4885

“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.