SCHEMBL4524272

SCHEMBL4524272

Cc1ccc(C2=NCCN2C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1F

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 7/20 0.55
▸ CYP2C19 P33261 2/20 0.47
▸ MAP1LC3B Q9GZQ8 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ EGFR P00533 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CASR P41180 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL4516228 1.00 KIF11 (0.55) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL4519535 0.90 KIF11 (0.53) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL4521642 0.89 KIF11 (0.50) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL4524774 0.87 KIF11 (0.52) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL4524767 0.87 KIF11 (0.52) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL4520829 0.86 KIF11 (0.52) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL13865432 0.86 KIF11 (0.52) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL4509919 0.86 KIF11 (0.46) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL4509696 0.81 KIF11 (0.54) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL4516234 0.81 KIF11 (0.49) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2

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-7528137-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-05-05 — — US disclosed
US-7214800-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2007-05-08 — — US disclosed
US-20060094735-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-04 — — US disclosed
US-20040077668-A1 Compounds, compositins, and methods CYTOKINETICS, INC. 2004-04-22 — — 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 (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-20040077668-A1 Compounds, compositins, and methods CEP170, PSAP, PACSIN2 KIF11 1233/4885CYP2C19 4685/4885MAP1LC3B 1225/4885
US-20060094735-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 KIF11 562/4885CYP2C19 4751/4885MAP1LC3B 1330/4885

“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.

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