SCHEMBL17628640

SCHEMBL17628640

CCCn1cnc2c(Nc3ccccc3)nc(N[C@H](CC)CO)nc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.75
CCNA2 P20248 16/20 0.75
CCNA1 P78396 15/20 0.75
CACNA1B Q00975 2/20 0.75
CDK5 Q00535 17/20 0.62
CDK5R1 Q15078 14/20 0.62
CDK1 P06493 5/20 0.62
CCNB1 P14635 2/20 0.62
CACNA1A O00555 1/20 0.62
DYRK1A Q13627 12/20 0.61
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
CDK7 P50613 3/20 0.56
CDK9 P50750 3/20 0.56
CSNK1A1 P48729 2/20 0.56
CCNE1 P24864 2/20 0.56
CCNT1 O60563 1/20 0.56
CCNH P51946 1/20 0.56

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
SCHEMBL17628642 1.00 CDK2 (0.75) CDK2CCNA2CCNA1CACNA1BCDK5
SCHEMBL19487058 0.93 CDK2 (0.66) CDK2CCNA2CCNA1CACNA1BCDK5
SCHEMBL17628589 0.89 CDK2 (0.74) CDK2CCNA2CCNA1CACNA1BCDK5
SCHEMBL17628591 0.89 CDK2 (0.74) CDK2CCNA2CCNA1CACNA1BCDK5
SCHEMBL19763770 0.87 CDK2 (0.74) CDK2CCNA2CCNA1CACNA1BCDK5
SCHEMBL5517026 0.86 CDK2 (1.00) CDK2CCNA2CCNA1CACNA1BCDK5
SCHEMBL17628623 0.86 CDK2 (1.00) CDK2CCNA2CCNA1CACNA1BCDK5
SCHEMBL17628627 0.85 CDK2 (0.78) CDK2CCNA2CCNA1CACNA1BCDK5
SCHEMBL17628625 0.85 CDK2 (0.78) CDK2CCNA2CCNA1CACNA1BCDK5
Hydrochloric Acid SCHEMBL21178214 0.85 CDK2 (0.76) CDK2CCNA2CCNA1CACNA1BCDK5

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 3024/4885CCNA2 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.