SCHEMBL20211540

SCHEMBL20211540

CC(C)(C)OC(=O)Nc1cccc(Nc2nc(Nc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c3)c3sccc3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
BRD4 O60885 6/20 0.41
JAK3 P52333 1/20 0.39
JAK2 O60674 3/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
FGFR4 P22455 2/20 0.37
EGFR P00533 5/20 0.36
ITK Q08881 4/20 0.36
ABCB11 O95342 1/20 0.36
ESR1 P03372 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
PDE4A P27815 1/20 0.36
ADRA1A P35348 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
SCHEMBL20211537 0.88 EGFR (0.42) SYKBRD4JAK3FGFR4EGFR
SCHEMBL18345868 0.86 IRAK4 (0.38) BRD4JAK3JAK2IRAK4FGFR4
SCHEMBL18346272 0.85 IRAK4 (0.41) SYKBRD4JAK3JAK2IRAK4
SCHEMBL18346281 0.84 IRAK4 (0.41) SYKBRD4JAK3JAK2IRAK4
SCHEMBL18345873 0.83 FGFR4 (0.36) BRD4JAK3JAK2IRAK4FGFR4
SCHEMBL18346293 0.82 IRAK4 (0.38) JAK3IRAK4KDR
SCHEMBL20225395 0.81 CDK7 (0.48) JAK3EGFRITKERBB2ERBB4
SCHEMBL1962898 0.80 CYP2C19 (0.46) FGFR4KAT6A
SCHEMBL20211543 0.79 JAK3 (0.42) JAK3EGFRITKBTKERBB2
SCHEMBL20211542 0.79 JAK3 (0.42) JAK3EGFRITKBTKERBB2

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 6 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-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
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 (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 SYK 2038/4885BRD4 617/4885JAK3 178/4885
US-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof CDK3, CDK14, CDK1 SYK 2038/4885BRD4 617/4885JAK3 178/4885
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 SYK 2038/4885BRD4 617/4885JAK3 178/4885

“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.