SCHEMBL16906699

SCHEMBL16906699

Cn1ncc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(N3CCC(CO)CC3)cc21

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 19/20 0.69
▸ NTRK1 P04629 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ PRKAA1 Q13131 1/20 0.45
▸ MAP4K1 Q92918 1/20 0.45

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
Hydrochloric Acid SCHEMBL16899064 0.99 IRAK4 (0.68) IRAK4NTRK1FLT3PRKAA1MAP4K1
Hypochlorous Acid SCHEMBL20787500 0.99 IRAK4 (0.68) IRAK4NTRK1FLT3PRKAA1MAP4K1
SCHEMBL16899112 0.92 IRAK4 (0.58) IRAK4
SCHEMBL17373824 0.89 IRAK4 (0.59) IRAK4
SCHEMBL16899115 0.89 IRAK4 (0.56) IRAK4NTRK1FLT3PRKAA1MAP4K1
SCHEMBL16899021 0.88 IRAK4 (0.67) IRAK4
SCHEMBL29986820 0.88 IRAK4 (0.67) IRAK4
SCHEMBL17373788 0.87 IRAK4 (0.62) IRAK4NTRK1FLT3PRKAA1MAP4K1
SCHEMBL17373785 0.87 IRAK4 (0.62) IRAK4NTRK1FLT3PRKAA1MAP4K1
SCHEMBL17383337 0.87 IRAK4 (0.68) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710443-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES Arvinas Operations, Inc. (US) 2020-09-23 — — EP disclosed
EP-3092226-B1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2019-03-13 — — EP disclosed
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-11-10 — — US disclosed
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-11-10 — — US disclosed
WO-2015104662-A1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — 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-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 IRAK4 1/4885NTRK1 2322/4885FLT3 297/4885

“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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