SCHEMBL6073563

SCHEMBL6073563

CC(C)[C@H](CO)NC(=O)Nc1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.50
CCND1 P24385 11/20 0.50
CDK2 P24941 8/20 0.50
CCNA2 P20248 5/20 0.50
CDK1 P06493 5/20 0.47
CCNB1 P14635 5/20 0.47
CCNE1 P24864 4/20 0.47
EGFR P00533 1/20 0.46
CCND3 P30281 5/20 0.45
CCNT1 O60563 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
CCNH P51946 1/20 0.45
CCND2 P30279 3/20 0.44
FGFR1 P11362 3/20 0.43
FGFR2 P21802 3/20 0.43
FGFR4 P22455 3/20 0.43
FGFR3 P22607 3/20 0.43
SYK P43405 2/20 0.43
CCNE2 O96020 1/20 0.43

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
SCHEMBL6074527 0.90 CDK4 (0.55) CDK4CCND1CDK2CCNA2CDK1
SCHEMBL6073468 0.89 CDK4 (0.49) CDK4CCND1CDK2CCNA2CDK1
SCHEMBL6073384 0.85 CCND3 (0.49) CDK4CCND1CDK2CCNA2CDK1
SCHEMBL6073488 0.84 CDK4 (0.50) CDK4CCND1CDK2CCNA2CDK1
SCHEMBL6073848 0.84 CDK4 (0.47) CDK4CCND1CDK2CCNA2CDK1
SCHEMBL7546855 0.83 CDK4 (0.50) CDK4CCND1CDK2CCNA2CDK1
SCHEMBL6074273 0.83 CDK4 (0.54) CDK4CCND1CDK2CCNA2CDK1
SCHEMBL6073486 0.83 CDK4 (0.50) CDK4CCND1CDK2CCNA2CDK1
SCHEMBL6074149 0.82 CDK4 (0.46) CDK4CCND1CDK2CCNA2CDK1
SCHEMBL6074268 0.81 CDK4 (0.47) CDK4CCND1CDK2CCNA2CDK1

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 6 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 claimed
US-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors BOOTH RICHARD JOHN (US) 2003-04-17 US claimed
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
EP-1254137-A1 PYRIDO 2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-11-06 EP disclosed
WO-2001055147-A1 PYRIDO[2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-08-02 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 (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 CDK4 19/4885CCND1 79/4885CDK2 5/4885

“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.