SCHEMBL17628628

SCHEMBL17628628

CC[C@H](CO)Nc1nc(NCc2cccc(C(F)(F)F)c2)c2ncn(C(C)C)c2n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 13/20 0.78
CCNB1 P14635 7/20 0.78
CCNB2 O95067 4/20 0.78
CCNB3 Q8WWL7 4/20 0.78
CDK2 P24941 9/20 0.76
CCNE1 P24864 8/20 0.76
CDK5 Q00535 7/20 0.76
CCNK O75909 7/20 0.76
CDK12 Q9NYV4 7/20 0.76
CDK7 P50613 6/20 0.76
CDK9 P50750 5/20 0.76
CDK4 P11802 4/20 0.76
CCND1 P24385 4/20 0.76
MAPK1 P28482 4/20 0.76
CCNH P51946 4/20 0.76
DYRK1A Q13627 3/20 0.76
CSNK1D P48730 2/20 0.76
CLK2 P49760 2/20 0.76
CSNK1G2 P78368 2/20 0.76
CLK4 Q9HAZ1 2/20 0.76

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
SCHEMBL28455783 1.00 CDK1 (0.78) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL17628631 1.00 CDK1 (0.78) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL28461442 0.90 CDK1 (0.80) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL28461441 0.90 CDK1 (0.80) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL1443624 0.88 CDK1 (1.00) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL3722504 0.88 CDK1 (1.00) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL24450466 0.87 CDK2 (0.78) CDK1CCNB1CCNB2CCNB3CDK2
(S)-Roscovitine SCHEMBL2907488 0.86 CDK1 (1.00) CDK1CCNB1CCNB2CCNB3CDK2
(Rs)-Roscovitine SCHEMBL15163619 0.86 CDK1 (1.00) CDK1CCNB1CCNB2CCNB3CDK2
Seliciclib SCHEMBL94728 0.86 CDK1 (1.00) CDK1CCNB1CCNB2CCNB3CDK2

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 12 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-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 CDK1 2530/4885CCNB1 3780/4885CCNB2 4290/4885
US-20190084984-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885CCNB1 3780/4885CCNB2 4290/4885
US-20160090387-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885CCNB1 3780/4885CCNB2 4290/4885
US-10174031-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885CCNB1 3780/4885CCNB2 4290/4885
US-10752629-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885CCNB1 3780/4885CCNB2 4290/4885

“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.