SCHEMBL13385804

SCHEMBL13385804

CN1CCN(c2ccc(Nc3ncc4cc(S(=O)(=O)c5ccc(Cl)cc5)c(=O)n(C5CCCCC5)c4n3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.65
CCND1 P24385 16/20 0.65
CDK2 P24941 13/20 0.65
CCNA2 P20248 12/20 0.65
FGFR1 P11362 9/20 0.65
CCNE1 P24864 5/20 0.65
CDK1 P06493 4/20 0.65
CCNB1 P14635 3/20 0.65
CDK6 Q00534 2/20 0.65
NUAK1 O60285 2/20 0.65
MARK3 P27448 2/20 0.65
MARK2 Q7KZI7 2/20 0.65
MARK4 Q96L34 2/20 0.65
NUAK2 Q9H093 2/20 0.65
MARK1 Q9P0L2 2/20 0.65
PDGFRB P09619 2/20 0.65
CDK7 P50613 2/20 0.65
PIK3CD O00329 1/20 0.65
PRKAB2 O43741 1/20 0.65
CCNT1 O60563 1/20 0.65

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
SCHEMBL13385911 0.99 CDK4 (0.66) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL13385856 0.92 CDK4 (0.61) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL13385848 0.91 CDK4 (0.68) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL16143789 0.87 CDK4 (0.73) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL13554018 0.86 CDK4 (0.69) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL13385807 0.85 CDK4 (0.62) CDK4CCND1FGFR1FGFR4FGFR2
SCHEMBL13554033 0.85 CDK4 (0.70) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL13385810 0.83 CDK4 (0.64) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL1990994 0.81 PLK2 (0.61) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041487 0.80 CDK4 (0.61) CDK4CCND1CDK2CCNA2FGFR1

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-8889696-B2 Substituted pyrido[2,3-d]pyrimidin-7(8H)-ones and therapeutic uses thereof Temple University—Of the Commonwealth System of Higher Education (US) 2014-11-18 US claimed
US-20120269831-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-10-25 US claimed
US-8889696-B2 Substituted pyrido[2,3-d]pyrimidin-7(8H)-ones and therapeutic uses thereof Temple University—Of the Commonwealth System of Higher Education (US) 2014-11-18 US disclosed
US-8889696-B2 Substituted pyrido[2,3-d]pyrimidin-7(8H)-ones and therapeutic uses thereof Temple University—Of the Commonwealth System of Higher Education (US) 2014-11-18 US disclosed
EP-2600719-B1 2-SUBSTITUTED-8-ALKYL-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBONITRILES AND USES THEREOF UNIV TEMPLE (US) 2014-10-08 EP disclosed
US-20120269831-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-10-25 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-20120269831-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF MKI67, CCNA1, FOLR1 CDK4 86/4885CCND1 90/4885CDK2 97/4885

“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.