SCHEMBL359330

SCHEMBL359330

O=C(Nc1cc(Cl)ccc1F)c1cnn2cccnc12

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 18/20 0.75
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
NLRP3 Q96P20 1/20 0.69
JAK2 O60674 1/20 0.67

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
SCHEMBL358848 0.89 IRAK4 (0.75) IRAK4NPC1RAB9ASMN1; SMN2NLRP3
SCHEMBL358986 0.86 IRAK4 (1.00) IRAK4JAK2
SCHEMBL358935 0.86 IRAK4 (1.00) IRAK4JAK2
SCHEMBL359781 0.85 IRAK4 (1.00) IRAK4JAK2
SCHEMBL358245 0.85 IRAK4 (1.00) IRAK4
SCHEMBL358961 0.85 IRAK4 (1.00) IRAK4JAK2
SCHEMBL359060 0.84 IRAK4 (1.00) IRAK4JAK2
SCHEMBL359112 0.84 IRAK4 (0.80) IRAK4
SCHEMBL358228 0.83 IRAK4 (1.00) IRAK4
SCHEMBL358837 0.83 IRAK4 (1.00) IRAK4

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 1/4885NPC1 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.