SCHEMBL21379216

SCHEMBL21379216

O=C(NC1CCC(C(=O)NC2CC2)CC1)c1cnc(Cl)cc1NC1COC1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 19/20 0.62
▸ TNF P01375 2/20 0.56

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
SCHEMBL21389884 1.00 IRAK4 (0.62) IRAK4TNF
SCHEMBL21765555 0.88 IRAK4 (0.50) IRAK4TNF
SCHEMBL31436626 0.85 IRAK4 (0.53) IRAK4TNF
SCHEMBL26598727 0.85 IRAK4 (0.53) IRAK4TNF
SCHEMBL31678570 0.81 IRAK4 (0.44) IRAK4TNF
SCHEMBL16873023 0.79 IRAK4 (0.40) IRAK4TNF
SCHEMBL21378985 0.78 IRAK4 (1.00) IRAK4
SCHEMBL21378984 0.78 IRAK4 (1.00) IRAK4
SCHEMBL31436648 0.76 IRAK4 (0.46) IRAK4
SCHEMBL26598787 0.76 IRAK4 (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641906-B Heteroaryl substituted aminopyridine compounds 百时美施贵宝公司 2021-10-01 — — CN disclosed
US-10618903-B2 Heteroaryl substituted aminopyridine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-14 — — US disclosed
EP-3475270-B1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 — — EP disclosed
US-20190292191-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-09-26 — — 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 (2 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-20190292191-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS IRAK4, IRAK3, IRAK2 IRAK4 1/4885TNF 677/4885
US-10618903-B2 Heteroaryl substituted aminopyridine compounds IRAK4, IRAK3, IRAK2 IRAK4 1/4885TNF 677/4885

“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.

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