SCHEMBL18346281

SCHEMBL18346281

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.41
FGFR4 P22455 1/20 0.40
BRD4 O60885 2/20 0.39
JAK2 O60674 3/20 0.39
PDE5A O76074 4/20 0.38
CYP2C19 P33261 1/20 0.37
JAK3 P52333 3/20 0.37
SYK P43405 3/20 0.37
AURKA O14965 2/20 0.37
DCLK1 O15075 2/20 0.37
PDPK1 O15530 2/20 0.37
ROCK2 O75116 2/20 0.37
PRKD3 O94806 2/20 0.37
MAP4K4 O95819 2/20 0.37
EGFR P00533 2/20 0.37
NTRK1 P04629 2/20 0.37
PRKCG P05129 2/20 0.37
LCK P06239 2/20 0.37
FYN P06241 2/20 0.37
CDK1 P06493 2/20 0.37

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
SCHEMBL18346272 0.88 IRAK4 (0.41) IRAK4FGFR4BRD4JAK2JAK3
SCHEMBL20211556 0.88 FGFR4 (0.40) IRAK4FGFR4BRD4JAK2PDE5A
SCHEMBL20211521 0.86 FGFR4 (0.38) IRAK4FGFR4JAK2CYP2C19JAK3
SCHEMBL18345868 0.84 IRAK4 (0.38) IRAK4FGFR4BRD4JAK2PDE5A
SCHEMBL20211540 0.84 SYK (0.43) IRAK4FGFR4BRD4JAK2PDE5A
SCHEMBL18346298 0.84 CYP2C19 (0.42) FGFR4CYP2C19HTR6
SCHEMBL18346293 0.82 IRAK4 (0.38) IRAK4JAK3RETCDK2KDR
SCHEMBL18345873 0.81 FGFR4 (0.36) IRAK4FGFR4BRD4JAK2CYP2C19
SCHEMBL20211543 0.79 JAK3 (0.42) JAK3EGFRMAPK9ITKERBB4
SCHEMBL20211542 0.79 JAK3 (0.42) JAK3EGFRMAPK9ITKERBB4

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 8 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
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 IRAK4 482/4885FGFR4 258/4885BRD4 617/4885
US-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof CDK3, CDK14, CDK1 IRAK4 482/4885FGFR4 258/4885BRD4 617/4885
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 IRAK4 482/4885FGFR4 258/4885BRD4 617/4885

“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.