SCHEMBL17628575

SCHEMBL17628575

CCCn1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(Cl)nc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 5/20 0.53
CDK1 P06493 2/20 0.52
ADORA2A P29274 4/20 0.50
ADORA1 P30542 4/20 0.50
ADORA3 P0DMS8 1/20 0.50
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCNA1 P78396 1/20 0.48
CACNA1B Q00975 1/20 0.48
TMIGD3 P0DMS9 3/20 0.48
CTSL P07711 3/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 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
SCHEMBL17628588 0.86 CDK1 (0.70) YTHDC1CDK1ADORA2AADORA1ADORA3
SCHEMBL19763769 0.85 YTHDC1 (0.54) YTHDC1CDK1ADORA2AADORA1CCNA2
SCHEMBL6821052 0.84 YTHDC1 (0.53) YTHDC1CDK1ADORA2AADORA1CCNA2
SCHEMBL6817859 0.84 CDK1 (0.74) YTHDC1CDK1ADORA2AADORA1CCNA2
SCHEMBL17628580 0.82 TMIGD3 (0.70) YTHDC1CDK1ADORA2AADORA1CCNA2
SCHEMBL17628619 0.81 YTHDC1 (0.57) YTHDC1CDK1ADORA2AADORA1CCNA2
SCHEMBL17628578 0.80 CDK1 (0.65) YTHDC1CDK1ADORA2AADORA1CCNA2
SCHEMBL17628625 0.79 CDK2 (0.78) CDK1CCNA2CDK2CCNA1CACNA1B
SCHEMBL17628627 0.79 CDK2 (0.78) CDK1CCNA2CDK2CCNA1CACNA1B
SCHEMBL6817839 0.78 HDAC1 (0.67) YTHDC1ADORA2AADORA1TMIGD3CTSL

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 YTHDC1 3460/4885CDK1 2530/4885ADORA2A 601/4885
US-20190084984-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S YTHDC1 3460/4885CDK1 2530/4885ADORA2A 601/4885
US-20160090387-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S YTHDC1 3460/4885CDK1 2530/4885ADORA2A 601/4885
US-10174031-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S YTHDC1 3460/4885CDK1 2530/4885ADORA2A 601/4885
US-10752629-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S YTHDC1 3460/4885CDK1 2530/4885ADORA2A 601/4885

“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.