SCHEMBL359875

SCHEMBL359875

COc1cc(NC(=O)c2csc3cnc(Cl)nc23)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
SYK P43405 2/20 0.53
IRAK4 Q9NWZ3 10/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
PTK2 Q05397 2/20 0.49
IRAK1 P51617 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ATF1 P18846 1/20 0.45
NFKB1 P19838 1/20 0.45
P4HTM Q9NXG6 1/20 0.44

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
SCHEMBL358514 0.88 SYK (0.55) LMNASYKIRAK4SMN1; SMN2IRAK1
SCHEMBL19265812 0.88 PTK2 (0.50) ALDH1A1LMNASYKIRAK4SMN1; SMN2
SCHEMBL19677062 0.88 PTK2 (0.50) ALDH1A1LMNASYKIRAK4SMN1; SMN2
SCHEMBL359125 0.80 SYK (0.56) SYKIRAK4IRAK1
SCHEMBL359849 0.79 SYK (0.62) SYKIRAK4IRAK1
SCHEMBL15093593 0.78 SYK (0.61) ALDH1A1SYKIRAK4SMN1; SMN2IRAK1
SCHEMBL1682820 0.78 PTK2 (0.50) PTK2
SCHEMBL19265894 0.77 IRAK4 (0.52) LMNASYKIRAK4SMN1; SMN2IRAK1
SCHEMBL358463 0.77 SYK (0.65) SYKIRAK4PTK2IRAK1
SCHEMBL358573 0.77 SYK (0.65) SYKIRAK4PTK2IRAK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 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 (1 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-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885LMNA 2020/4885SYK 634/4885

“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.