SCHEMBL20225391

SCHEMBL20225391

CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nc(-c4cc5ccccc5[nH]4)c4sccc4n3)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 17/20 0.72
▸ CCNH P51946 16/20 0.72
▸ MNAT1 P51948 2/20 0.55
▸ CDK5 Q00535 2/20 0.55
▸ CDK5R1 Q15078 2/20 0.55
▸ MAPK8 P45983 2/20 0.55
▸ MAPK9 P45984 2/20 0.55
▸ CCNT1 O60563 1/20 0.55
▸ CCNK O75909 1/20 0.55
▸ CDK1 P06493 1/20 0.55
▸ CCNB1 P14635 1/20 0.55
▸ CCNA2 P20248 1/20 0.55
▸ CDK2 P24941 1/20 0.55
▸ CDK9 P50750 1/20 0.55
▸ CDK13 Q14004 1/20 0.55
▸ MAP3K11 Q16584 1/20 0.55
▸ CDK12 Q9NYV4 1/20 0.55
▸ MAPK10 P53779 1/20 0.51
▸ PIP4K2A P48426 1/20 0.50
▸ PIP4K2B P78356 1/20 0.50

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
SCHEMBL20225385 0.86 CDK7 (0.82) CDK7CCNHMNAT1CDK5CDK5R1
SCHEMBL18313301 0.84 CDK7 (1.00) CDK7CCNHMNAT1CDK5CDK5R1
SCHEMBL20225381 0.84 MAPK8 (0.69) CDK7CCNHMNAT1CDK5CDK5R1
SCHEMBL20225382 0.82 CDK7 (0.75) CDK7CCNHMNAT1CDK5CDK5R1
SCHEMBL20225388 0.81 PIP4K2A (0.66) CDK7CCNHMAPK8MAPK9MAPK10
SCHEMBL20225393 0.78 CDK7 (0.52) CDK7CCNHMNAT1MAPK8MAPK9
SCHEMBL20211533 0.78 CDK7 (0.63) CDK7CCNHMNAT1CDK5CDK5R1
SCHEMBL20211532 0.78 CDK7 (0.63) CDK7CCNHMNAT1CDK5CDK5R1
SCHEMBL18313112 0.77 CDK7 (1.00) CDK7CCNHMNAT1CDK5CDK5R1
SCHEMBL20211546 0.77 CDK7 (0.52) CDK7CCNHMNAT1CDK5CDK5R1

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 65/4885MNAT1 646/4885
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 CDK7 5/4885CCNH 65/4885MNAT1 646/4885

“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.

Send feedback