SCHEMBL20225385

SCHEMBL20225385

CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nc(-c4c[nH]c5ccccc45)c4sccc4n3)c2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 18/20 0.82
▸ CCNH P51946 18/20 0.82
▸ CDK5 Q00535 3/20 0.73
▸ MNAT1 P51948 3/20 0.73
▸ CDK5R1 Q15078 2/20 0.73
▸ CDK1 P06493 2/20 0.73
▸ CDK2 P24941 2/20 0.73
▸ CDK9 P50750 2/20 0.73
▸ CCNT1 O60563 1/20 0.73
▸ CCNK O75909 1/20 0.73
▸ CCNB1 P14635 1/20 0.73
▸ CCNA2 P20248 1/20 0.73
▸ MAPK8 P45983 1/20 0.73
▸ MAPK9 P45984 1/20 0.73
▸ CDK13 Q14004 1/20 0.73
▸ MAP3K11 Q16584 1/20 0.73
▸ CDK12 Q9NYV4 1/20 0.73
▸ CDK8 P49336 1/20 0.66
▸ PIP4K2A P48426 1/20 0.64
▸ PIP4K2B P78356 1/20 0.64

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
SCHEMBL18313112 0.90 CDK7 (1.00) CDK7CCNHCDK5MNAT1CDK5R1
SCHEMBL18313368 0.88 CDK7 (1.00) CDK7CCNHCDK5MNAT1CDK5R1
SCHEMBL20225391 0.86 CDK7 (0.72) CDK7CCNHCDK5MNAT1CDK5R1
SCHEMBL18313467 0.85 CDK7 (0.85) CDK7CCNHCDK5MNAT1CDK5R1
SCHEMBL23682983 0.84 CDK7 (1.00) CDK7CCNHCDK5MNAT1CDK5R1
SCHEMBL29434968 0.84 CDK7 (1.00) CDK7CCNHCDK5MNAT1CDK5R1
SCHEMBL29355500 0.84 CDK7 (1.00) CDK7CCNHCDK5MNAT1CDK5R1
SCHEMBL18313611 0.84 CDK7 (1.00) CDK7CCNHCDK5MNAT1CDK5R1
SCHEMBL14979765 0.84 CDK7 (1.00) CDK7CCNHCDK5MNAT1CDK5R1
SCHEMBL18229934 0.84 CDK7 (1.00) CDK7CCNHCDK5MNAT1CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-07-09 — — US disclosed
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-07 — — US disclosed
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-07 — — 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-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof CDK3, CDK14, CDK1 CDK7 5/4885CCNH 65/4885CDK5 6/4885
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 CDK7 5/4885CCNH 65/4885CDK5 6/4885

“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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