SCHEMBL20211533

SCHEMBL20211533

CN(C)CC=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nc(Nc4cnc5[nH]ccc5c4)c4sccc4n3)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 14/20 0.63
CCNH P51946 14/20 0.63
PIP4K2A P48426 5/20 0.61
PIP4K2B P78356 5/20 0.61
MAPK8 P45983 2/20 0.53
MAPK9 P45984 2/20 0.53
MAPK10 P53779 1/20 0.53
MNAT1 P51948 2/20 0.52
CCNT1 O60563 1/20 0.51
CCNK O75909 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CDK9 P50750 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK13 Q14004 1/20 0.51
CDK5R1 Q15078 1/20 0.51
MAP3K11 Q16584 1/20 0.51
CDK12 Q9NYV4 1/20 0.51

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
SCHEMBL20211532 1.00 CDK7 (0.63) CDK7CCNHPIP4K2APIP4K2BMAPK8
SCHEMBL18346372 0.92 CDK7 (0.53) CDK7CCNHPIP4K2APIP4K2BMAPK8
SCHEMBL20225382 0.89 CDK7 (0.75) CDK7CCNHPIP4K2APIP4K2BMAPK8
SCHEMBL20228953 0.88 CDK7 (0.61) CDK7CCNHPIP4K2APIP4K2BMAPK8
SCHEMBL20228952 0.87 CDK7 (0.63) CDK7CCNHPIP4K2APIP4K2BMAPK8
SCHEMBL20225389 0.85 PIP4K2A (0.71) CDK7CCNHPIP4K2APIP4K2BMAPK8
SCHEMBL20225395 0.83 CDK7 (0.48) CDK7CCNHPIP4K2APIP4K2BMAPK8
SCHEMBL20093351 0.82 PIP4K2A (0.83) CDK7CCNHPIP4K2APIP4K2BMAPK8
SCHEMBL20228962 0.81 CDK7 (0.79) CDK7CCNHPIP4K2APIP4K2BMAPK8
SCHEMBL20225381 0.79 MAPK8 (0.69) CDK7CCNHPIP4K2APIP4K2BMAPK8

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 65/4885PIP4K2A 16/4885
US-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof CDK3, CDK14, CDK1 CDK7 5/4885CCNH 65/4885PIP4K2A 16/4885
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 CDK7 5/4885CCNH 65/4885PIP4K2A 16/4885

“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.