SCHEMBL31291012

SCHEMBL31291012

C[C@H](C#N)Nc1cc(Cl)ncc1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 14/20 0.41
P2RX3 P56373 1/20 0.35
TNF P01375 2/20 0.35
TRPA1 O75762 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
ATR Q13535 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL27040163 1.00 IRAK4 (0.41) IRAK4P2RX3TNFTRPA1AAK1
SCHEMBL27040161 1.00 IRAK4 (0.41) IRAK4P2RX3TNFTRPA1AAK1
SCHEMBL16873172 0.86 IRAK4 (0.43) IRAK4P2RX3TNFTRPA1ATR
SCHEMBL27039419 0.82 SCN9A (0.39) IRAK4P2RX3TRPA1AAK1ATR
SCHEMBL27039418 0.82 SCN9A (0.39) IRAK4P2RX3TRPA1AAK1ATR
SCHEMBL31291010 0.82 SCN9A (0.39) IRAK4P2RX3TRPA1AAK1ATR
SCHEMBL12931891 0.78 ATR (0.47) P2RX3TRPA1AAK1ATRCA12
SCHEMBL31323887 0.75 IRAK4 (0.61) IRAK4
SCHEMBL22837208 0.75 IRAK4 (0.61) IRAK4
SCHEMBL27040003 0.74 IRAK4 (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735424-A1 PROCESSES FOR MAKING IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2026-05-06 EP disclosed
US-20250042906-A1 PROCESSES FOR MAKING IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
WO-2025006946-A1 PROCESSES FOR MAKING IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2025-01-02 WO 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-20250042906-A1 PROCESSES FOR MAKING IRAK4 INHIBITORS IRAK4, IRAK3, IRAK2 IRAK4 1/4885P2RX3 3720/4885TNF 847/4885

“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.