SCHEMBL10288032

SCHEMBL10288032

CC(C)Oc1ccc(Cl)cc1NC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.44
P2RX3 P56373 2/20 0.43
TRPM4 Q8TD43 1/20 0.41
ACLY P53396 1/20 0.41
MAPT P10636 2/20 0.40
RORC P51449 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNT1 Q5JUK3 1/20 0.39
GBA1 P04062 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
TSHR P16473 1/20 0.39
HTR2B P41595 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL17580571 0.87 P2RX3 (0.41) IRAK4P2RX3ACLYRORCMEN1
SCHEMBL1758548 0.81 KMT2A (0.57) MAPTMAPK1NPSR1MEN1KMT2A
SCHEMBL12165535 0.78 IRAK4 (0.45) IRAK4MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL543548 0.76 TSHR (0.56) IRAK4MAPTMAPK1MEN1KMT2A
SCHEMBL13212301 0.76 CYP19A1 (0.54) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL25659179 0.75 MAOB (0.46) P2RX3ACLYMAPTRORCMAPK1
SCHEMBL19980084 0.75 MAPT (0.55) MAPTMAPK1NPSR1KCNT1MEN1
SCHEMBL30933788 0.75 ERN1 (0.47) MAPTRORCHTR2AHTR2CTSHR
SCHEMBL4209586 0.75 ERN1 (0.47) MAPTRORCHTR2AHTR2CTSHR
SCHEMBL23486446 0.74 MAPT (0.40) ACLYMAPTMAPK1NPSR1MEN1

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 IRAK4 1/4885P2RX3 319/4885TRPM4 2026/4885

“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.