SCHEMBL17639878

SCHEMBL17639878

CCCn1cnc2c(NCc3ccc(C(F)(F)F)cc3)nc(Cl)nc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.58
▸ CDK2 P24941 3/20 0.57
▸ CCNE2 O96020 2/20 0.57
▸ CCNE1 P24864 2/20 0.57
▸ CDK1 P06493 3/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ CTSL P07711 9/20 0.55
▸ TMIGD3 P0DMS9 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ PPARG P37231 1/20 0.50
▸ PPARD Q03181 1/20 0.50
▸ CCNA2 P20248 1/20 0.48
▸ CCNA1 P78396 1/20 0.48
▸ CACNA1B Q00975 1/20 0.48
▸ CTSB P07858 1/20 0.48

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
SCHEMBL6152650 0.88 CTSL (0.69) PDE2ACDK2CCNE2CCNE1CDK1
SCHEMBL6817859 0.85 CDK1 (0.74) CDK2CCNE2CCNE1CDK1HDAC1
SCHEMBL6944109 0.84 CCNE2 (0.76) CDK2CCNE2CCNE1CDK1HDAC1
SCHEMBL17628578 0.84 CDK1 (0.65) CDK2CCNE2CCNE1CDK1HDAC1
SCHEMBL28461058 0.82 CDK1 (0.78) PDE2ACDK2CCNE2CCNE1CDK1
SCHEMBL5827557 0.81 CCNE2 (0.67) CDK2CCNE2CCNE1CDK1CCNA2
SCHEMBL17628605 0.80 CDK2 (0.78) CDK2CCNE2CCNE1CDK1CCNA2
SCHEMBL17628603 0.80 CDK2 (0.78) CDK2CCNE2CCNE1CDK1CCNA2
SCHEMBL6945059 0.79 CCNE2 (0.57) CDK2CCNE2CCNE1CDK1HDAC1
SCHEMBL17628618 0.79 CDK1 (0.57) CDK2CCNE2CCNE1CDK1HDAC1

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 8 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-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

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 PDE2A 1752/4885CDK2 3024/4885CCNE2 3618/4885
US-20190084984-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S PDE2A 1752/4885CDK2 3024/4885CCNE2 3618/4885
US-20160090387-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S PDE2A 1752/4885CDK2 3024/4885CCNE2 3618/4885
US-10174031-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S PDE2A 1752/4885CDK2 3024/4885CCNE2 3618/4885
US-10752629-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S PDE2A 1752/4885CDK2 3024/4885CCNE2 3618/4885

“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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