SCHEMBL3603731

SCHEMBL3603731

COc1ncccc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.63
CDK2 P24941 6/20 0.63
KDR P35968 4/20 0.63
GSK3B P49841 2/20 0.63
JAK2 O60674 3/20 0.59
CCNE1 P24864 4/20 0.57
ACVR1 Q04771 1/20 0.56
FLT3 P36888 5/20 0.54
CDK1 P06493 2/20 0.54
CCNB1 P14635 2/20 0.54
CDK7 P50613 1/20 0.54
CCNH P51946 1/20 0.54
MNAT1 P51948 1/20 0.54
BRD4 O60885 1/20 0.53
MAPK1 P28482 1/20 0.52
MAP2K1 Q02750 1/20 0.52
HRH4 Q9H3N8 1/20 0.52
EGFR P00533 1/20 0.52
JAK3 P52333 1/20 0.52
AURKA O14965 1/20 0.51

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
SCHEMBL1264579 0.85 CDK2 (0.66) CDK4CDK2KDRGSK3BJAK2
SCHEMBL1265059 0.81 AURKB (0.57) CDK4CDK2KDRGSK3BJAK2
SCHEMBL13503014 0.81 PIK3C3 (0.53) CDK4CDK2KDRGSK3BACVR1
SCHEMBL3616221 0.80 CDK2 (0.58) CDK4CDK2KDRGSK3BJAK2
SCHEMBL7466266 0.80 CDK2 (0.63) CDK4CDK2KDRGSK3BJAK2
SCHEMBL1264652 0.80 JAK2 (0.62) CDK4CDK2KDRGSK3BJAK2
SCHEMBL7476832 0.79 JAK2 (0.72) CDK4CDK2KDRGSK3BJAK2
SCHEMBL15212479 0.79 JAK2 (0.76) CDK4CDK2KDRGSK3BJAK2
SCHEMBL7465716 0.78 ACVR1 (0.70) CDK4CDK2KDRGSK3BJAK2
SCHEMBL7469627 0.78 CDK2 (0.64) CDK4CDK2KDRGSK3BJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2010039997-A9 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-05-05 WO disclosed
WO-2010039997-A2 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-04-08 WO disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
WO-2008079933-A2 HETEROARYL-HETEROARYL COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER, INFLAMMATION AND VIRAL INFECTIONS NOVARTIS AG (CH) 2008-07-03 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 (4 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-20110224227-A1 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS CDK6, CDK4, CDKN1A CDK4 2/4885CDK2 4/4885KDR 2397/4885
US-20110224221-A1 HEMATOPOIETIC PROTECTION AGAINST IONIZING RADIATION USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS CDK4, CDK6, CDKN1A CDK4 1/4885CDK2 6/4885KDR 2162/4885
US-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CDK4 2775/4885CDK2 3078/4885KDR 3785/4885
US-20150111896-A1 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS CDK6, CDK4, CDKN1A CDK4 2/4885CDK2 4/4885KDR 2397/4885

“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.