SCHEMBL20476036

SCHEMBL20476036

CC(C)Nc1cc(Br)ncc1C(=O)NC1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 19/20 0.54
▸ TNF P01375 4/20 0.54
▸ CNR2 P34972 1/20 0.46

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
SCHEMBL29709747 0.84 IRAK4 (0.48) IRAK4
SCHEMBL24508596 0.84 IRAK4 (0.48) IRAK4
SCHEMBL29709894 0.84 IRAK4 (0.48) IRAK4
SCHEMBL26598605 0.77 IRAK4 (0.61) IRAK4
SCHEMBL31436622 0.77 IRAK4 (0.61) IRAK4
SCHEMBL15742080 0.75 EGFR (0.55) IRAK4TNFCNR2
SCHEMBL21765615 0.75 IRAK4 (0.57) IRAK4
SCHEMBL21765613 0.74 IRAK4 (0.53) IRAK4TNF
SCHEMBL18341524 0.74 KDM4E (0.43) IRAK4TNF
SCHEMBL30545204 0.74 KDM4E (0.43) IRAK4TNF

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-3583105-B1 PYRROLO [1,2-B]PYRIDAZINE DERIVATIVES GILEAD SCIENCES INC (US) 2024-02-07 — — EP disclosed
US-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2019-07-02 — — US disclosed
WO-2018152368-A1 PYRROLO [1,2-B] PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2018-08-23 — — 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-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives SDHB, CYP4F2, CYP1B1 IRAK4 2924/4885TNF 3417/4885CNR2 746/4885

“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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