SCHEMBL18045068

SCHEMBL18045068

CN(C)C/C=C/C(=O)Nc1ccc(NC(=O)N2CCCC(Nc3ncc(Cl)c(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)n3)C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.63
▸ CDK7 P50613 17/20 0.63
▸ CCNH P51946 17/20 0.63
▸ CDK12 Q9NYV4 16/20 0.63
▸ CDK9 P50750 14/20 0.63
▸ CCNT1 O60563 13/20 0.63
▸ CDK13 Q14004 12/20 0.63
▸ CCNA2 P20248 12/20 0.63
▸ CDK2 P24941 12/20 0.63
▸ MNAT1 P51948 10/20 0.63
▸ CDK3 Q00526 1/20 0.63
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ RPS6KA3 P51812 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
SCHEMBL18045069 1.00 CCNK (0.63) CCNKCDK7CCNHCDK12CDK9
SCHEMBL16655206 0.94 CCNK (0.72) CCNKCDK7CCNHCDK12CDK9
SCHEMBL16655209 0.94 CCNK (0.72) CCNKCDK7CCNHCDK12CDK9
SCHEMBL16655207 0.94 CCNK (0.72) CCNKCDK7CCNHCDK12CDK9
SCHEMBL16655208 0.94 CCNK (0.72) CCNKCDK7CCNHCDK12CDK9
SCHEMBL16655057 0.89 CCNK (0.65) CCNKCDK7CCNHCDK12CDK9
SCHEMBL16655058 0.89 CCNK (0.65) CCNKCDK7CCNHCDK12CDK9
SCHEMBL16664893 0.87 CDK2 (0.50) CCNKCDK7CCNHCDK12CDK9
SCHEMBL16664891 0.85 CDK2 (0.48) CCNKCDK7CCNHCDK12CDK9
SCHEMBL16664888 0.83 CCNK (0.88) CCNKCDK7CCNHCDK12CDK9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040957-B2 Heteroaromatic compounds useful for the treatment of proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-06-22 — — US disclosed
US-20190241541-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES OXFORD FINANCE LLC, AS COLLATERAL AGENT 2019-08-08 — — US disclosed
EP-3057955-B1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2018-04-11 — — EP disclosed
US-20160264551-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS, INC. (US) 2016-09-15 — — 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 (3 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-20190241541-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK4 CCNK 8/4885CDK7 1/4885CCNH 29/4885
US-11040957-B2 Heteroaromatic compounds useful for the treatment of proliferative diseases CDK7, CDK3, CDK4 CCNK 8/4885CDK7 1/4885CCNH 29/4885
US-20160264551-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CCNK 12/4885CDK7 1/4885CCNH 30/4885

“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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