SCHEMBL22143039

SCHEMBL22143039

Cc1cccc2[nH]cc(-c3ccnc(Nc4cccc(NC(=O)c5ccc(NC(=O)CCCN(C)C)cc5)c4)n3)c12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 10/20 0.75
▸ CCNH P51946 10/20 0.75
▸ MAPK8 P45983 2/20 0.48
▸ MAPK9 P45984 2/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ JAK2 O60674 2/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ ABL1 P00519 4/20 0.47
▸ PDGFRA P16234 3/20 0.47
▸ BCR P11274 3/20 0.47
▸ PDGFRB P09619 2/20 0.47
▸ CDK5 Q00535 2/20 0.46
▸ CDK5R1 Q15078 2/20 0.46
▸ CCNT1 O60563 1/20 0.46
▸ CCNK O75909 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46

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
SCHEMBL22143050 0.90 CDK7 (0.74) CDK7CCNHMAPK8MAPK9MAPK10
SCHEMBL22143305 0.89 CDK7 (0.74) CDK7CCNHMAPK8MAPK9CDK5
SCHEMBL18313108 0.85 CDK7 (1.00) CDK7CCNHMAPK8MAPK9MAPK10
SCHEMBL29855866 0.77 CDK7 (0.75) CDK7CCNHMAPK8MAPK9CDK5
SCHEMBL22143286 0.77 CDK7 (0.74) CDK7CCNHMAPK8MAPK9CDK5
SCHEMBL22143294 0.76 CDK7 (0.76) CDK7CCNHMAPK8MAPK9CDK5
SCHEMBL18313434 0.75 CDK7 (1.00) CDK7CCNHMAPK8MAPK9MAPK10
SCHEMBL18313159 0.74 CDK7 (1.00) CDK7CCNHMAPK8MAPK9CDK5
SCHEMBL25125994 0.73 CDK7 (0.52) CDK7CCNHMAPK8MAPK9CDK5
SCHEMBL22143037 0.73 CDK7 (0.62) CDK7CCNHMAPK8MAPK9CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 16/4885MAPK8 588/4885

“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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