SCHEMBL5748552

SCHEMBL5748552

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncc4cc(Br)c(=O)n(C5CCCC5)c4n3)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.59
CDK4 P11802 17/20 0.58
CCND1 P24385 17/20 0.58
CCND2 P30279 5/20 0.58
CCND3 P30281 5/20 0.58
CCNA2 P20248 13/20 0.56
FGFR1 P11362 10/20 0.56
FGFR2 P21802 9/20 0.56
FGFR4 P22455 9/20 0.56
FGFR3 P22607 9/20 0.56
CCNA1 P78396 2/20 0.56
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
PIK3CD O00329 1/20 0.46
PRKAB2 O43741 1/20 0.46
NUAK1 O60285 1/20 0.46
CCNT1 O60563 1/20 0.46
ABL1 P00519 1/20 0.46
FYN P06241 1/20 0.46
CDK1 P06493 1/20 0.46

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
SCHEMBL6390792 0.87 CDK4 (0.63) CDK2CDK4CCND1CCND2CCND3
SCHEMBL4828583 0.85 CDK4 (0.69) CDK2CDK4CCND1CCND2CCND3
SCHEMBL5749310 0.82 CDK4 (0.80) CDK2CDK4CCND1CCND2CCND3
Hydrochloric Acid SCHEMBL5753203 0.81 CDK4 (0.81) CDK2CDK4CCND1CCND2CCND3
SCHEMBL11977219 0.81 CDK4 (0.63) CDK2CDK4CCND1CCND2CCND3
SCHEMBL4067722 0.80 SYK (0.58) CDK2CDK4CCND1CCND2CCND3
SCHEMBL22015968 0.80 CDK4 (0.75) CDK2CDK4CCND1CCND2CCND3
SCHEMBL5900321 0.79 CDK4 (0.66) CDK2CDK4CCND1CCND2CCND3
SCHEMBL3344173 0.79 CDK4 (0.68) CDK2CDK4CCND1CCND2CCND3
SCHEMBL29508788 0.78 CDK4 (0.61) CDK2CDK4CCND1CCND2CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718645-A1 2-(PYRIDIN-3-YLAMINO)-PYRIDO 2,3-D PYRIMIDIN-7-ONES Warner-Lambert Company LLC (US) 2006-11-08 EP disclosed
WO-2005082903-A1 2-(PYRIDIN-3-YLAMINO)-PYRIDO[2,3-D]PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY LLC (US) 2005-09-09 WO disclosed
US-20050182078-A1 2-(Pyridin-3-ylamino)-pyrido[2,3-D]pyrimidin-7-ones WARNER-LAMBERT COMPANY, LLC 2005-08-18 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-20050182078-A1 2-(Pyridin-3-ylamino)-pyrido[2,3-D]pyrimidin-7-ones CDK2, CDK4, CDK1 CDK2 1/4885CDK4 2/4885CCND1 18/4885

“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.