SCHEMBL20211546

SCHEMBL20211546

CN(C)CC=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)c4sccc4n3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 16/20 0.52
CCNH P51946 16/20 0.52
MAPK8 P45983 3/20 0.49
MAPK9 P45984 3/20 0.49
MAPK10 P53779 1/20 0.49
PIP4K2A P48426 2/20 0.48
PIP4K2B P78356 2/20 0.48
CCNT1 O60563 1/20 0.47
CCNK O75909 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CDK9 P50750 1/20 0.47
MNAT1 P51948 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK13 Q14004 1/20 0.47
CDK5R1 Q15078 1/20 0.47
MAP3K11 Q16584 1/20 0.47
CDK12 Q9NYV4 1/20 0.47

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
SCHEMBL20211545 1.00 CDK7 (0.52) CDK7CCNHMAPK8MAPK9MAPK10
SCHEMBL18346384 0.93 CDK7 (0.45) CDK7CCNHMAPK8MAPK9MAPK10
SCHEMBL20225395 0.91 CDK7 (0.48) CDK7CCNHMAPK8MAPK9MAPK10
SCHEMBL18346280 0.86 ABL1 (0.41) MAPK8MAPK9CDK1CDK2CDK5
SCHEMBL18346335 0.83 MEN1 (0.36)
SCHEMBL20225382 0.83 CDK7 (0.75) CDK7CCNHMAPK8MAPK9MAPK10
SCHEMBL20211543 0.83 JAK3 (0.42) CDK7CCNHMAPK8MAPK9MAPK10
SCHEMBL20211542 0.83 JAK3 (0.42) CDK7CCNHMAPK8MAPK9MAPK10
SCHEMBL20093361 0.82 PIP4K2A (0.68) CDK7CCNHMAPK8MAPK9MAPK10
SCHEMBL20093364 0.81 PIP4K2A (0.56) CDK7CCNHMAPK8MAPK9MAPK10

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-20180369243-A9 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-12-27 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 (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-20180369243-A9 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 CDK7 5/4885CCNH 65/4885MAPK8 380/4885
US-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof CDK3, CDK14, CDK1 CDK7 5/4885CCNH 65/4885MAPK8 380/4885
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 CDK7 5/4885CCNH 65/4885MAPK8 380/4885

“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.