SCHEMBL344014

SCHEMBL344014

CN1CCN(c2ccc(Nc3ncc4cnn(C5CCCCC5)c4n3)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.73
CDK1 P06493 6/20 0.73
AURKA O14965 4/20 0.73
SRC P12931 2/20 0.73
KDR P35968 2/20 0.73
PDGFRB P09619 2/20 0.73
CDK7 P50613 2/20 0.73
INSR P06213 1/20 0.73
PDGFRA P16234 1/20 0.73
FLT1 P17948 1/20 0.73
FLT4 P35916 1/20 0.73
NTRK2 Q16620 1/20 0.73
CCND1 P24385 7/20 0.69
CCND2 P30279 5/20 0.69
CCND3 P30281 5/20 0.69
CCNE1 P24864 5/20 0.69
CDK2 P24941 5/20 0.69
CCNB1 P14635 5/20 0.69
CCNE2 O96020 4/20 0.69
CCNA2 P20248 4/20 0.69

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
SCHEMBL1355087 1.00 CDK4 (0.73) CDK4CDK1AURKASRCKDR
SCHEMBL344178 0.99 CDK4 (0.71) CDK4CDK1AURKASRCKDR
SCHEMBL1355312 0.91 CDK4 (0.67) CDK4CDK1AURKASRCKDR
SCHEMBL12639348 0.91 EGFR (0.61) CDK4CDK1AURKASRCKDR
SCHEMBL343214 0.90 CDK4 (0.59) CDK4CDK1AURKASRCKDR
SCHEMBL1355413 0.88 CDK4 (0.72) CDK4CDK1AURKASRCKDR
SCHEMBL12639296 0.88 CDK4 (0.72) CDK4CDK1AURKASRCKDR
SCHEMBL1353785 0.88 CDK1 (0.66) CDK4CDK1AURKASRCKDR
SCHEMBL344501 0.87 CDK4 (0.69) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL12639329 0.87 CDK4 (0.61) CDK4CDK1AURKASRCKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 US claimed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US claimed
US-20150111896-A1 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-23 US disclosed
US-20150111896-A1 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-23 US disclosed
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US disclosed
US-20110224227-A1 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-15 US disclosed
US-20110224227-A1 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-15 US disclosed
US-20110224221-A1 HEMATOPOIETIC PROTECTION AGAINST IONIZING RADIATION USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS NORTH CAROLINA AT CHAPEL HILL, THE UNIVERSITY OF 2011-09-15 US disclosed
US-20110224221-A1 HEMATOPOIETIC PROTECTION AGAINST IONIZING RADIATION USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS NORTH CAROLINA AT CHAPEL HILL, THE UNIVERSITY OF 2011-09-15 US disclosed
US-7947695-B2 Inhibitors of cell cycle kinases such as cyclin dependent kinase CDK4 and/or the Aurora kinases; use in combination with an anticancer agent JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 US disclosed
US-7947695-B2 Inhibitors of cell cycle kinases such as cyclin dependent kinase CDK4 and/or the Aurora kinases; use in combination with an anticancer agent JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 US disclosed
US-20080070914-A1 Inhibitors of cell cycle kinases such as cyclin dependent kinase CDK4 and/or the Aurora kinases; use in combination with an anticancer agent JANSSEN-CILAG (FR) 2008-03-20 US disclosed
US-20080070914-A1 Inhibitors of cell cycle kinases such as cyclin dependent kinase CDK4 and/or the Aurora kinases; use in combination with an anticancer agent JANSSEN-CILAG (FR) 2008-03-20 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 (5 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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS CHUK, MAP2K2, CDK3 CDK4 71/4885CDK1 10/4885AURKA 784/4885
US-20080070914-A1 Inhibitors of cell cycle kinases such as cyclin dependent kinase CDK4 and/or the Aurora kinases; use in combination with an anticancer agent CDK1, CDK2, CDK4 CDK4 3/4885CDK1 1/4885AURKA 10/4885
US-20110224227-A1 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS CDK6, CDK4, CDKN1A CDK4 2/4885CDK1 10/4885AURKA 236/4885
US-20110224221-A1 HEMATOPOIETIC PROTECTION AGAINST IONIZING RADIATION USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS CDK4, CDK6, CDKN1A CDK4 1/4885CDK1 10/4885AURKA 120/4885
US-20150111896-A1 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS CDK6, CDK4, CDKN1A CDK4 2/4885CDK1 10/4885AURKA 236/4885

“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.