SCHEMBL4517014

SCHEMBL4517014

Cc1ncc(-c2nc(Nc3ccc(C(=O)NC4CCCN(C(=O)OC(C)(C)C)C4)cc3)ncc2F)n1C(C)C

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.69
CDK1 P06493 8/20 0.69
KCNH2 Q12809 8/20 0.60
IGF1R P08069 1/20 0.51

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
SCHEMBL4514802 0.90 CDK2 (0.75) CDK2CDK1KCNH2
SCHEMBL4203202 0.84 CDK4 (0.54) CDK2CDK1KCNH2
SCHEMBL4513970 0.82 CDK2 (1.00) CDK2CDK1KCNH2
SCHEMBL4517750 0.81 CDK2 (0.74) CDK2CDK1KCNH2
SCHEMBL4505144 0.80 CDK2 (0.81) CDK2CDK1KCNH2
SCHEMBL21956065 0.78 CDK2 (1.00) CDK2CDK1KCNH2
SCHEMBL30828080 0.78 CDK2 (1.00) CDK2CDK1KCNH2
SCHEMBL1447467 0.78 CDK2 (1.00) CDK2CDK1KCNH2
SCHEMBL1448447 0.78 CDK2 (1.00) CDK2CDK1KCNH2
SCHEMBL30828086 0.78 CDK2 (0.80) CDK2CDK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608639-B2 Phenoxyether derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-27 US disclosed
US-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis ELI LILLY AND COMPANY (US) 2007-02-15 US disclosed
EP-1675814-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-07-05 EP disclosed
WO-2005037763-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-28 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-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors CCNI, CDK4, CDK3 CDK2 4/4885CDK1 6/4885KCNH2 3837/4885
US-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis PPARA, PPARG, PPARD CDK2 3578/4885CDK1 4667/4885KCNH2 2481/4885

“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.