SCHEMBL3612317

SCHEMBL3612317

COc1cnccc1-c1nc(Nc2cccc(S(N)(=O)=O)c2)ncc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.56
CDK1 P06493 4/20 0.56
CCNT1 O60563 3/20 0.56
CCNB1 P14635 3/20 0.56
CCNA2 P20248 3/20 0.56
CDK9 P50750 3/20 0.56
CDK7 P50613 2/20 0.56
CCNH P51946 2/20 0.56
CCNA1 P78396 1/20 0.56
BMPR2 Q13873 10/20 0.55
JAK3 P52333 4/20 0.54
JAK1 P23458 3/20 0.54
EGFR P00533 2/20 0.51
BTK Q06187 2/20 0.51
FLT3 P36888 2/20 0.51
CDK5 Q00535 2/20 0.51
CDC7 O00311 1/20 0.51
PLK4 O00444 1/20 0.51
CHEK1 O14757 1/20 0.51
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
SCHEMBL3622441 0.79 IKBKB (0.59) CDK2CDK1CCNT1CCNB1CCNA2
SCHEMBL3005199 0.77 CDK9 (0.61) CDK2CDK1CCNT1CCNB1CCNA2
SCHEMBL3621478 0.76 CDK2 (0.54) CDK2CDK1CCNT1CCNB1CCNA2
SCHEMBL3622052 0.76 CDK2 (0.54) CDK2CDK1CCNT1CCNB1CCNA2
SCHEMBL3610580 0.76 CDK9 (0.81) CDK2CDK1CCNT1CCNB1CCNA2
SCHEMBL16564535 0.76 PTK2 (0.60) CDK2CDK1CCNT1CCNB1CDK9
SCHEMBL3623248 0.75 SYK (0.63) CDK2CDK1CCNT1CCNB1CCNA2
SCHEMBL3620405 0.75 CDK1 (0.55) CDK2CDK1CCNT1CCNB1CCNA2
SCHEMBL3620313 0.75 CDK1 (0.55) CDK2CDK1CCNT1CCNB1CCNA2
SCHEMBL3613897 0.74 CDK1 (0.57) CDK2CDK1CCNT1CCNB1CCNA2

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-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
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

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 CDK2 4/4885CDK1 10/4885CCNT1 34/4885
US-20110224221-A1 HEMATOPOIETIC PROTECTION AGAINST IONIZING RADIATION USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS CDK4, CDK6, CDKN1A CDK2 6/4885CDK1 10/4885CCNT1 25/4885
US-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CDK2 3078/4885CDK1 3769/4885CCNT1 3196/4885
US-20150111896-A1 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS CDK6, CDK4, CDKN1A CDK2 4/4885CDK1 10/4885CCNT1 34/4885

“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.