SCHEMBL17628641

SCHEMBL17628641

CCC(CO)Nc1nc(NCCc2ccccc2)c2ncn(C)c2n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.81
CCNA2 P20248 6/20 0.81
CCNA1 P78396 6/20 0.81
CCNK O75909 11/20 0.70
CDK12 Q9NYV4 11/20 0.70
CACNA1B Q00975 3/20 0.66
CDK1 P06493 7/20 0.64
CDK5 Q00535 5/20 0.64
CCNE1 P24864 5/20 0.64
CDK7 P50613 4/20 0.64
CCNB1 P14635 4/20 0.64
CDK9 P50750 3/20 0.64
CCNE2 O96020 3/20 0.64
CCNB2 O95067 3/20 0.64
MAPK1 P28482 3/20 0.64
CCNB3 Q8WWL7 3/20 0.64
CSNK1D P48730 2/20 0.64
CLK2 P49760 2/20 0.64
CSNK1G2 P78368 2/20 0.64
DYRK1A Q13627 2/20 0.64

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
SCHEMBL17628638 1.00 CDK2 (0.81) CDK2CCNA2CCNA1CCNKCDK12
SCHEMBL17450135 0.90 CDK2 (1.00) CDK2CCNA2CCNA1CCNKCDK12
SCHEMBL13170162 0.90 CDK2 (1.00) CDK2CCNA2CCNA1CCNKCDK12
SCHEMBL17628577 0.89 CDK2 (0.82) CDK2CCNA2CCNA1CCNKCDK12
SCHEMBL17628576 0.89 CDK2 (0.82) CDK2CCNA2CCNA1CCNKCDK12
SCHEMBL17628596 0.88 CCNK (0.89) CDK2CCNA2CCNA1CCNKCDK12
SCHEMBL17628600 0.88 CCNK (0.89) CDK2CCNA2CCNA1CCNKCDK12
SCHEMBL17628632 0.85 CDK2 (0.76) CDK2CCNA2CCNA1CCNKCDK12
SCHEMBL17628630 0.85 CDK2 (0.76) CDK2CCNA2CCNA1CCNKCDK12
SCHEMBL17628614 0.84 CDK2 (0.89) CDK2CCNA2CCNA1CCNKCDK12

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-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-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-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 3024/4885CCNA2 3582/4885CCNA1 3624/4885
US-20190084984-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S CDK2 3024/4885CCNA2 3582/4885CCNA1 3624/4885
US-20160090387-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S CDK2 3024/4885CCNA2 3582/4885CCNA1 3624/4885
US-10174031-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S CDK2 3024/4885CCNA2 3582/4885CCNA1 3624/4885
US-10752629-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S CDK2 3024/4885CCNA2 3582/4885CCNA1 3624/4885

“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.