SCHEMBL358514

SCHEMBL358514

COc1ccc(NC(=O)c2csc3cnc(Cl)nc23)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.55
IRAK4 Q9NWZ3 10/20 0.54
IRAK1 P51617 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.49
PDE4B Q07343 2/20 0.48
MAPT P10636 1/20 0.47
PDE4D Q08499 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL359875 0.88 ALDH1A1 (0.54) SYKIRAK4IRAK1KDM4ESMN1; SMN2
SCHEMBL19265894 0.87 IRAK4 (0.52) SYKIRAK4IRAK1NPC1RAB9A
SCHEMBL359849 0.82 SYK (0.62) SYKIRAK4IRAK1
SCHEMBL15093593 0.82 SYK (0.61) SYKIRAK4IRAK1NPC1RAB9A
SCHEMBL15093623 0.81 SYK (0.58) SYKIRAK4NPC1RAB9AKDM4E
SCHEMBL359125 0.81 SYK (0.56) SYKIRAK4IRAK1KMT2AMAPT
SCHEMBL359999 0.78 NPC1 (0.54) SYKNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL358257 0.78 IRAK4 (0.70) SYKIRAK4IRAK1NPC1RAB9A
SCHEMBL358247 0.77 IRAK4 (0.75) SYKIRAK4IRAK1
SCHEMBL359660 0.77 SYK (0.65) SYKIRAK4IRAK1

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 SYK 634/4885IRAK4 1/4885IRAK1 2/4885

“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.