SCHEMBL20211543

SCHEMBL20211543

O=C(C=CCBr)Nc1ccc(C(=O)Nc2cccc(Nc3nc(Nc4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)c4sccc4n3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.42
CDK7 P50613 9/20 0.39
CCNH P51946 9/20 0.39
LRRK2 Q5S007 1/20 0.39
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
MAPK10 P53779 1/20 0.38
EGFR P00533 4/20 0.37
PIP4K2A P48426 3/20 0.37
PIP4K2B P78356 3/20 0.37
ITK Q08881 1/20 0.37
ERBB2 P04626 2/20 0.36
ERBB4 Q15303 2/20 0.36
MNAT1 P51948 1/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL20211542 1.00 JAK3 (0.42) JAK3CDK7CCNHLRRK2MAPK8
SCHEMBL20225395 0.92 CDK7 (0.48) JAK3CDK7CCNHMAPK8MAPK9
SCHEMBL18346272 0.88 IRAK4 (0.41) JAK3LRRK2BTK
SCHEMBL18346293 0.85 IRAK4 (0.38) JAK3LRRK2
SCHEMBL20211545 0.83 CDK7 (0.52) CDK7CCNHMAPK8MAPK9MAPK10
SCHEMBL20211546 0.83 CDK7 (0.52) CDK7CCNHMAPK8MAPK9MAPK10
SCHEMBL18346347 0.80 BTK (0.51) JAK3EGFRITKBTK
SCHEMBL20211540 0.79 SYK (0.43) JAK3EGFRITKERBB2ERBB4
SCHEMBL18346281 0.79 IRAK4 (0.41) JAK3MAPK8MAPK9EGFRITK
SCHEMBL18346280 0.78 ABL1 (0.41) JAK3LRRK2MAPK8MAPK9EGFR

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 JAK3 178/4885CDK7 5/4885CCNH 65/4885
US-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof CDK3, CDK14, CDK1 JAK3 178/4885CDK7 5/4885CCNH 65/4885
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 JAK3 178/4885CDK7 5/4885CCNH 65/4885

“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.