SCHEMBL17628586

SCHEMBL17628586

CC(C)n1cnc2c(NCc3cccc(C(F)(F)F)c3)nc(Cl)nc21

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 14/20 0.80
CDK2 P24941 4/20 0.73
CSNK1A1 P48729 2/20 0.73
CSNK1D P48730 2/20 0.73
CDK7 P50613 2/20 0.73
CCNH P51946 2/20 0.73
MNAT1 P51948 2/20 0.73
MAPK1 P28482 1/20 0.73
MAPK8 P45983 1/20 0.73
PPARG P37231 1/20 0.59
PPARD Q03181 1/20 0.59
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CDK5 Q00535 1/20 0.55
CDK9 P50750 1/20 0.54
CCNB1 P14635 2/20 0.52
CCNB2 O95067 1/20 0.52
CCNB3 Q8WWL7 1/20 0.52

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
SCHEMBL28461058 0.88 CDK1 (0.78) CDK1CDK2CSNK1A1CSNK1DCDK7
SCHEMBL28457283 0.87 CDK1 (0.76) CDK1CDK2CSNK1A1CSNK1DCDK7
SCHEMBL6821050 0.86 CDK1 (0.79) CDK1CDK2PPARDKDM4ENPC1
SCHEMBL31072387 0.85 CDK1 (0.78) CDK1CDK2CSNK1DKDM4ENPC1
SCHEMBL28771300 0.85 CDK1 (0.76) CDK1CDK2PPARGPPARDKDM4E
SCHEMBL22789735 0.85 CDK2 (1.00) CDK1CDK2CSNK1A1CSNK1DCDK7
SCHEMBL1443862 0.85 CDK1 (0.76) CDK1CDK2CSNK1DKDM4ENPC1
SCHEMBL6820864 0.85 CDK1 (0.76) CDK1PPARGPPARDKDM4ENPC1
SCHEMBL1400442 0.84 CDK1 (1.00) CDK1CDK2CSNK1DCDK7KDM4E
SCHEMBL1443458 0.83 CDK1 (0.80) CDK1CDK2PPARDKDM4ENPC1

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 15 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
CN-110256436-B Purines as Trk kinase inhibitors 南京雷正医药科技有限公司 2020-06-09 CN 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 CDK1 2530/4885CDK2 3024/4885CSNK1A1 610/4885
US-20190084984-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885CDK2 3024/4885CSNK1A1 610/4885
US-20160090387-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885CDK2 3024/4885CSNK1A1 610/4885
US-10174031-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885CDK2 3024/4885CSNK1A1 610/4885
US-10752629-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885CDK2 3024/4885CSNK1A1 610/4885

“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.