SCHEMBL1890595

SCHEMBL1890595

CN1CCN(c2ccc(Nc3ncc4ccc(=O)n(C5CCCCC5)c4n3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 1.00
CCND1 P24385 18/20 1.00
CCND2 P30279 15/20 1.00
CCND3 P30281 15/20 1.00
CDK2 P24941 11/20 1.00
CCNA2 P20248 9/20 1.00
CCNE1 P24864 9/20 1.00
CCNE2 O96020 8/20 1.00
CCNA1 P78396 6/20 1.00
CDK1 P06493 6/20 1.00
FGFR1 P11362 6/20 1.00
CCNB1 P14635 5/20 1.00
FGFR2 P21802 5/20 1.00
FGFR4 P22455 5/20 1.00
FGFR3 P22607 5/20 1.00
CCNB2 O95067 4/20 1.00
CCNB3 Q8WWL7 4/20 1.00
PAK4 O96013 1/20 0.98
PAK1 Q13153 1/20 0.98
PKN1 Q16512 1/20 0.98

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
SCHEMBL5264602 1.00 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK2
SCHEMBL30418772 0.99 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5262935 0.99 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5264325 0.95 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5265688 0.94 CDK4 (0.89) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5263022 0.92 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5266784 0.92 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5263902 0.92 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5268232 0.92 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5263278 0.92 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK2

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806348-A2 Pyrido (2,3-D)Pyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-07-11 EP claimed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 US claimed
EP-2073803-B1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LTD (GB) 2018-09-19 EP disclosed
EP-1845973-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2015-08-12 EP disclosed
US-8916552-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-12-23 US disclosed
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 US disclosed
US-8541461-B2 Pharmaceutical combinations comprising pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2013-09-24 US disclosed
US-8435970-B2 Title compound is drug AT-9283, inhibitor of Cyclin Dependent Kinases (CDK kinases), Aurora kinases and Glycogen Synthase Kinase-3 (GSK3) ASTEX THERAPEUTICS LIMITED (GB) 2013-05-07 US disclosed
US-8277807-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2012-10-02 US disclosed
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-30 US disclosed
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-05-05 US disclosed
WO-2006136837-A2 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
WO-2006077428-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077425-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
US-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease BOOTH RICHARD JOHN (US) 2004-11-11 US disclosed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 US disclosed
EP-1255755-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001055148-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2001-08-02 WO disclosed
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 EP disclosed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 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 (3 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-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease CDK4, CDKL1, CCNT1 CDK4 1/4885CCND1 23/4885CCND2 25/4885
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, GSK3A CDK4 14/4885CCND1 210/4885CCND2 272/4885
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS SLC10A1, CYP11B2, SDHB CDK4 991/4885CCND1 1966/4885CCND2 899/4885

“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.