SCHEMBL18345868

SCHEMBL18345868

CC(C)(C)N(C(=O)O)c1cccc(Nc2nc(Nc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c3)c3sccc3n2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.38
BRD4 O60885 6/20 0.38
JAK2 O60674 2/20 0.37
FGFR4 P22455 2/20 0.37
JAK3 P52333 1/20 0.36
PDE5A O76074 5/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
ERBB4 Q15303 1/20 0.34
LRRK2 Q5S007 1/20 0.34
PTK2 Q05397 1/20 0.34
HTR6 P50406 1/20 0.33

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
SCHEMBL18345885 0.87 EGFR (0.39) FGFR4JAK3EGFRPTK2
SCHEMBL20211540 0.86 SYK (0.43) IRAK4BRD4JAK2FGFR4JAK3
SCHEMBL18346281 0.84 IRAK4 (0.41) IRAK4BRD4JAK2FGFR4JAK3
SCHEMBL18345873 0.83 FGFR4 (0.36) IRAK4BRD4JAK2FGFR4JAK3
SCHEMBL18346272 0.82 IRAK4 (0.41) IRAK4BRD4JAK2FGFR4JAK3
SCHEMBL18346293 0.80 IRAK4 (0.38) IRAK4JAK3LRRK2
SCHEMBL20225395 0.78 CDK7 (0.48) JAK3EGFRERBB2ERBB4
SCHEMBL18346309 0.78 FGFR4 (0.34) IRAK4JAK2FGFR4JAK3PDE5A
SCHEMBL18346298 0.77 CYP2C19 (0.42) FGFR4HTR6
SCHEMBL20211543 0.77 JAK3 (0.42) JAK3EGFRERBB2ERBB4LRRK2

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 IRAK4 482/4885BRD4 617/4885JAK2 840/4885
US-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof CDK3, CDK14, CDK1 IRAK4 482/4885BRD4 617/4885JAK2 840/4885
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 IRAK4 482/4885BRD4 617/4885JAK2 840/4885

“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.