SCHEMBL17628633

SCHEMBL17628633

CC[C@H](CO)Nc1nc(N(C)C2CC2)c2ncn(C)c2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 7/20 0.60
▸ CDK2 P24941 18/20 0.53
▸ CCNA2 P20248 12/20 0.53
▸ CCNA1 P78396 12/20 0.53
▸ CACNA1B Q00975 3/20 0.50
▸ CCNE1 P24864 6/20 0.44
▸ CCNE2 O96020 2/20 0.44
▸ CDK5 Q00535 10/20 0.43
▸ DYRK1A Q13627 9/20 0.43
▸ CDK5R1 Q15078 8/20 0.43
▸ CCNB1 P14635 4/20 0.43
▸ CDK4 P11802 3/20 0.43
▸ CCND1 P24385 3/20 0.43
▸ CDK7 P50613 4/20 0.41
▸ CDK9 P50750 3/20 0.41
▸ CSNK1D P48730 2/20 0.41
▸ CLK2 P49760 2/20 0.41
▸ CSNK1G2 P78368 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ CSNK1G1 Q9HCP0 2/20 0.41

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
SCHEMBL17628621 0.89 CDK2 (0.64) CDK1CDK2CCNA2CCNA1CACNA1B
SCHEMBL17628635 0.88 CDK2 (0.59) CDK1CDK2CCNA2CCNA1CACNA1B
SCHEMBL17628609 0.77 CDK2 (0.59) CDK1CDK2CCNA2CCNA1CACNA1B
SCHEMBL17628634 0.77 CDK2 (0.80) CDK1CDK2CCNA2CCNA1CACNA1B
SCHEMBL17628637 0.77 CDK2 (0.80) CDK1CDK2CCNA2CCNA1CACNA1B
SCHEMBL23993181 0.75 CDK2 (0.64) CDK1CDK2CCNA2CCNA1CACNA1B
SCHEMBL3296793 0.73 CDK2 (0.67) CDK1CDK2CCNA2CCNE1CCNE2
SCHEMBL22224858 0.71 CDK1 (0.53) CDK1CDK2CCNE1CCNE2CDK5
SCHEMBL17628589 0.71 CDK2 (0.74) CDK1CDK2CCNA2CCNA1CACNA1B
SCHEMBL17628591 0.71 CDK2 (0.74) CDK1CDK2CCNA2CCNA1CACNA1B

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 CDK1 2530/4885CDK2 3024/4885CCNA2 3582/4885
US-20190084984-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885CDK2 3024/4885CCNA2 3582/4885
US-20160090387-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885CDK2 3024/4885CCNA2 3582/4885
US-10174031-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885CDK2 3024/4885CCNA2 3582/4885
US-10752629-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885CDK2 3024/4885CCNA2 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.

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