SCHEMBL6073780

SCHEMBL6073780

C[C@@H]1CN(c2ccc(Nc3ncc4cc(Br)c(NC(=O)NC5CCCCC5)nc4n3)cc2)C[C@H](C)N1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 2/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
IGF1R P08069 3/20 0.40
SYK P43405 8/20 0.39
NPR3 P17342 1/20 0.38
AURKB Q96GD4 2/20 0.38
AURKA O14965 1/20 0.38
FGFR1 P11362 2/20 0.38
EGFR P00533 2/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
CCNK O75909 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
CDK6 Q00534 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL6073783 1.00 CCND3 (0.41) CCND3CDK4CCND1CCND2IGF1R
SCHEMBL6073824 0.92 CCND3 (0.41) CCND3CDK4CCND1CCND2IGF1R
SCHEMBL6073827 0.92 CCND3 (0.41) CCND3CDK4CCND1CCND2IGF1R
SCHEMBL6074187 0.89 FGFR1 (0.41) CCND3CDK4CCND1CCND2IGF1R
SCHEMBL6074180 0.89 FGFR1 (0.41) CCND3CDK4CCND1CCND2IGF1R
SCHEMBL6073956 0.89 CCND3 (0.53) CCND3CDK4CCND1CCND2IGF1R
SCHEMBL6074137 0.87 AURKB (0.41) CCND3CDK4CCND1CCND2SYK
SCHEMBL6074141 0.87 AURKB (0.41) CCND3CDK4CCND1CCND2SYK
SCHEMBL6073608 0.85 CDK4 (0.48) CCND3CDK4CCND1CCND2SYK
SCHEMBL6073614 0.85 CDK4 (0.48) CCND3CDK4CCND1CCND2SYK

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-7053070-B2 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-05-30 US disclosed
US-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors BOOTH RICHARD JOHN (US) 2003-04-17 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-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors CDK9, CDK19, CDK3 CCND3 98/4885CDK4 19/4885CCND1 79/4885

“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.