SCHEMBL22143273

SCHEMBL22143273

CN(C)CCCC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cn(C)c5ccccc45)n3)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.74
▸ CCNH P51946 13/20 0.74
▸ EGFR P00533 5/20 0.58
▸ CDK13 Q14004 2/20 0.56
▸ CDK12 Q9NYV4 2/20 0.56
▸ CDK1 P06493 2/20 0.56
▸ CDK2 P24941 2/20 0.56
▸ CDK9 P50750 2/20 0.56
▸ MNAT1 P51948 2/20 0.56
▸ CDK5 Q00535 2/20 0.56
▸ CCNT1 O60563 1/20 0.56
▸ CCNK O75909 1/20 0.56
▸ CCNB1 P14635 1/20 0.56
▸ CCNA2 P20248 1/20 0.56
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ CDK5R1 Q15078 1/20 0.56
▸ MAP3K11 Q16584 1/20 0.56
▸ CDK8 P49336 1/20 0.50
▸ IGF1R P08069 1/20 0.49

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
SCHEMBL29855866 0.86 CDK7 (0.75) CDK7CCNHEGFRCDK13CDK12
SCHEMBL18313520 0.85 CDK7 (1.00) CDK7CCNHCDK13CDK12CDK1
SCHEMBL20867300 0.83 CDK7 (0.75) CDK7CCNHCDK13CDK12CDK1
SCHEMBL22472963 0.82 CDK7 (0.74) CDK7CCNHEGFRCDK13CDK12
SCHEMBL24900843 0.81 EGFR (0.61) CDK7CCNHEGFRIGF1RKCNH2
SCHEMBL20289272 0.81 CDK7 (0.78) CDK7CCNHEGFRCDK13CDK12
SCHEMBL30221314 0.81 EGFR (0.61) CDK7CCNHEGFRIGF1RKCNH2
SCHEMBL20289038 0.80 CDK7 (0.73) CDK7CCNHEGFRCDK13CDK12
SCHEMBL18078640 0.79 EGFR (0.68) CDK7CCNHEGFRCDK13CDK12
SCHEMBL20288972 0.79 CDK7 (0.75) CDK7CCNHCDK13CDK12CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 — — US disclosed
US-20200197392-A1 COMPOSITIONS AND METHODS FOR TREATING TUBEROUS SCLEROSIS COMPLEX THE BRIGHAM & WOMEN'S HOSPITAL, INC. (US) 2020-06-25 — — 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 (2 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-20200197392-A1 COMPOSITIONS AND METHODS FOR TREATING TUBEROUS SCLEROSIS COMPLEX CDK7, CDK17, MTOR CDK7 1/4885CCNH 16/4885EGFR 2279/4885
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC CDK7 130/4885CCNH 539/4885EGFR 658/4885

“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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