SCHEMBL16906568

SCHEMBL16906568

Cn1cc2cc(NC(=O)c3cccc(-c4ccc(F)nc4)n3)c(N3CCCCC3)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.52
▸ KCNH2 Q12809 2/20 0.42

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 SCHEMBL16898774 0.99 IRAK4 (0.52) IRAK4KCNH2
Hypochlorous Acid SCHEMBL20787488 0.99 IRAK4 (0.52) IRAK4KCNH2
SCHEMBL18392027 0.90 IRAK4 (0.65) IRAK4KCNH2
SCHEMBL16898757 0.88 IRAK4 (0.58) IRAK4KCNH2
SCHEMBL16899061 0.85 IRAK4 (0.65) IRAK4
SCHEMBL18391964 0.84 IRAK4 (0.62) IRAK4KCNH2
SCHEMBL16898791 0.84 IRAK4 (0.46) IRAK4KCNH2
Hydrochloric Acid SCHEMBL16899260 0.84 IRAK4 (0.64) IRAK4
Hydrochloric Acid SCHEMBL22437270 0.84 IRAK4 (0.46) IRAK4KCNH2
Hydrochloric Acid SCHEMBL20377753 0.84 IRAK4 (0.61) IRAK4KCNH2

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
US-20200345704-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS CURIS, INC. 2020-11-05 — — US 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 (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-20200345704-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS IRAK4, IRAK2, JAK2 IRAK4 1/4885KCNH2 1944/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 IRAK4 1/4885KCNH2 3196/4885

“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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