SCHEMBL17628636

SCHEMBL17628636

CC[C@H](CO)Nc1nc(NCC2CC2)c2ncn(C(C)C)c2n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.75
CDK9 P50750 5/20 0.75
CCNA2 P20248 9/20 0.74
CCNA1 P78396 9/20 0.74
CDK1 P06493 9/20 0.68
CDK5 Q00535 9/20 0.68
CCNE1 P24864 8/20 0.68
DYRK1A Q13627 7/20 0.68
CCNB1 P14635 7/20 0.68
CDK5R1 Q15078 7/20 0.68
CDK7 P50613 6/20 0.68
CCNB2 O95067 4/20 0.68
CDK4 P11802 4/20 0.68
CCND1 P24385 4/20 0.68
MAPK1 P28482 4/20 0.68
CCNH P51946 4/20 0.68
CCNB3 Q8WWL7 4/20 0.68
CACNA1B Q00975 3/20 0.68
CCNK O75909 3/20 0.68
CDK12 Q9NYV4 3/20 0.68

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
SCHEMBL17628639 1.00 CDK2 (0.75) CDK2CDK9CCNA2CCNA1CDK1
SCHEMBL20833036 0.92 CDK2 (0.69) CDK2CDK9CCNA2CCNA1CDK1
SCHEMBL17628634 0.88 CDK2 (0.80) CDK2CDK9CCNA2CCNA1CDK1
SCHEMBL17628637 0.88 CDK2 (0.80) CDK2CDK9CCNA2CCNA1CDK1
SCHEMBL3296796 0.86 CDK2 (1.00) CDK2CDK9CCNA2CDK1CDK5
SCHEMBL19112199 0.85 CCNK (0.74) CDK2CDK9CCNA2CCNA1CDK1
SCHEMBL17628622 0.85 CDK2 (1.00) CDK2CDK9CCNA2CCNA1CDK1
SCHEMBL17628624 0.85 CDK2 (1.00) CDK2CDK9CCNA2CCNA1CDK1
SCHEMBL21609979 0.82 CDK2 (0.64) CDK2CDK9CCNA2CCNA1CDK1
SCHEMBL21609978 0.82 CDK2 (0.64) CDK2CDK9CCNA2CCNA1CDK1

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-10752629-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-08-25 US disclosed
US-10752629-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-08-25 US disclosed
US-20190084984-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-03-21 US disclosed
US-20190084984-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-03-21 US disclosed
US-10174031-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-01-08 US disclosed
US-10174031-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-01-08 US disclosed
US-20180009810-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-01-11 US disclosed
US-20180009810-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-01-11 US disclosed
US-9796714-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-10-24 US disclosed
US-9796714-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-10-24 US disclosed
US-9796714-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-10-24 US disclosed
US-20160090387-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-03-31 US disclosed
US-20160090387-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-03-31 US disclosed
US-20160090387-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-03-31 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-20180009810-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S CDK2 3024/4885CDK9 3834/4885CCNA2 3582/4885
US-20190084984-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S CDK2 3024/4885CDK9 3834/4885CCNA2 3582/4885
US-20160090387-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S CDK2 3024/4885CDK9 3834/4885CCNA2 3582/4885
US-10174031-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S CDK2 3024/4885CDK9 3834/4885CCNA2 3582/4885
US-10752629-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S CDK2 3024/4885CDK9 3834/4885CCNA2 3582/4885

“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.