SCHEMBL359370

SCHEMBL359370

COc1ccc(NC(=O)c2csc3cnc(On4nnc5ccccc54)nc23)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
GPX4 P36969 1/20 0.42
IRAK4 Q9NWZ3 9/20 0.41
IRAK1 P51617 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 1/20 0.41
AURKA O14965 1/20 0.40
MAP3K7 O43318 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL359365 0.84 MAPT (0.43) SYKNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12505377 0.80 SYK (0.48) SYKNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL358289 0.79 SYK (0.46) SYKRAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL358514 0.76 SYK (0.55) SYKNPC1RAB9AKMT2AKDM4E
SCHEMBL19265894 0.76 IRAK4 (0.52) SYKNPC1RAB9AKMT2AKDM4E
SCHEMBL31182014 0.68 PIN1 (0.68) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL359660 0.67 SYK (0.65) SYKIRAK4IRAK1
SCHEMBL19265812 0.66 PTK2 (0.50) SYKSMN1; SMN2IRAK4IRAK1ALDH1A1
SCHEMBL19677062 0.66 PTK2 (0.50) SYKKMT2AKDM4ESMN1; SMN2IRAK4
SCHEMBL14977553 0.66 SYK (0.66) SYKSMN1; SMN2

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 634/4885NPC1 2973/4885RAB9A 3702/4885

“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.