SCHEMBL18345890

SCHEMBL18345890

CC(C)(C)c1c(NC(=O)O)cccc1Nc1nc(Oc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)c2sccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.36
KDR P35968 2/20 0.36
KCNH2 Q12809 2/20 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
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
BTK Q06187 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL18345873 0.86 FGFR4 (0.36) EGFRFGFR4JAK3PTK2CYP2C19
SCHEMBL20211537 0.84 EGFR (0.42) EGFRKDRKCNH2ABCB11ESR1
SCHEMBL18345885 0.83 EGFR (0.39) EGFRKDRKCNH2ABCB11ESR1
SCHEMBL20211521 0.80 FGFR4 (0.38) EGFRKDRKCNH2ABCB11ESR1
SCHEMBL18346268 0.79 KDR (0.39) EGFRKDRKCNH2ABCB11ESR1
SCHEMBL18346363 0.77 CYP2C19 (0.42) HTR1AFGFR4CYP2C19
SCHEMBL18346354 0.77 ABCB11 (0.38) EGFRKDRKCNH2ABCB11ESR1
SCHEMBL18346347 0.76 BTK (0.51) EGFRKDRKCNH2ABCB11ESR1
SCHEMBL18346310 0.75 HTR6 (0.33) FGFR4CYP2C19HDAC3HDAC4HDAC1
SCHEMBL20211540 0.72 SYK (0.43) EGFRKDRKCNH2ABCB11ESR1

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 5 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
EP-3313529-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF Dana Farber Cancer Institute, Inc. (US) 2018-05-02 EP disclosed
WO-2016210291-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-29 WO 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 EGFR 1810/4885KDR 357/4885KCNH2 1963/4885
US-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof CDK3, CDK14, CDK1 EGFR 1810/4885KDR 357/4885KCNH2 1963/4885
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 EGFR 1810/4885KDR 357/4885KCNH2 1963/4885

“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.