SCHEMBL17373751

SCHEMBL17373751

Cn1cc2cc(N3CCCCC3)c(NC(=O)c3cccc(Br)n3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 11/20 0.51
▸ PIM1 P11309 1/20 0.47
▸ PIM3 Q86V86 1/20 0.47
▸ MAPT P10636 3/20 0.44
▸ NTRK3 Q16288 1/20 0.43
▸ NTRK2 Q16620 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ BRPF1 P55201 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ GRM5 P41594 1/20 0.40

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
SCHEMBL16898801 0.96 IRAK4 (0.54) IRAK4PIM1PIM3MAPTNTRK3
SCHEMBL20801188 0.85 IRAK4 (0.52) IRAK4PIM1PIM3MAPTNTRK3
SCHEMBL17383684 0.82 IRAK4 (0.52) IRAK4PIM1PIM3MAPT
SCHEMBL17373791 0.82 IRAK4 (0.52) IRAK4PIM1PIM3MAPT
SCHEMBL17382890 0.81 IRAK4 (0.52) IRAK4PIM1PIM3MAPT
SCHEMBL18889882 0.81 IRAK4 (0.52) IRAK4PIM1PIM3MAPT
SCHEMBL17373869 0.81 PIM1 (0.48) IRAK4PIM1PIM3MAPTNTRK3
SCHEMBL18392031 0.81 PIM1 (0.57) IRAK4PIM1PIM3MAPTNTRK3
SCHEMBL16898757 0.81 IRAK4 (0.58) IRAK4
SCHEMBL20377767 0.80 IRAK4 (0.49) IRAK4PIM1PIM3MAPTALDH1A1

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
US-20170152263-A1 Substituted Indazole Compounds as IRAK4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-06-01 — — US disclosed
EP-3157521-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS Aurigene Discovery Technologies Limited (IN) 2017-04-26 — — EP disclosed
WO-2015193846-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-12-23 — — 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-20170152263-A1 Substituted Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK2 IRAK4 1/4885PIM1 88/4885PIM3 111/4885

“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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