SCHEMBL17373869

SCHEMBL17373869

Cn1ncc2cc(N3CCCCC3)c(NC(=O)c3cccc(Br)n3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.48
▸ PIM3 Q86V86 1/20 0.48
▸ MAPT P10636 6/20 0.47
▸ NTRK1 P04629 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ PRKAA1 Q13131 1/20 0.45
▸ MAP4K1 Q92918 1/20 0.45
▸ BRPF1 P55201 3/20 0.44
▸ IRAK4 Q9NWZ3 2/20 0.44
▸ MAPK10 P53779 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TP53 P04637 3/20 0.41
▸ NTRK3 Q16288 1/20 0.41
▸ NTRK2 Q16620 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL29987314 0.86 IRAK4 (0.50) PIM1PIM3MAPTNTRK1FLT3
SCHEMBL18155985 0.82 PIM1 (0.53) PIM1PIM3MAPK10
SCHEMBL17373928 0.82 IRAK4 (0.53) PIM1PIM3MAPTNTRK1FLT3
SCHEMBL17373931 0.82 IRAK4 (0.53) PIM1PIM3MAPTNTRK1FLT3
SCHEMBL17373751 0.81 IRAK4 (0.51) PIM1PIM3MAPTBRPF1IRAK4
SCHEMBL17373838 0.81 NTRK1 (0.58) PIM1PIM3MAPTNTRK1FLT3
SCHEMBL17373840 0.81 NTRK1 (0.58) PIM1PIM3MAPTNTRK1FLT3
SCHEMBL30659518 0.81 NTRK1 (0.58) PIM1PIM3MAPTNTRK1FLT3
SCHEMBL16898801 0.79 IRAK4 (0.54) PIM1PIM3MAPTBRPF1IRAK4
SCHEMBL18391999 0.79 IRAK4 (0.54) PIM1PIM3MAPTNTRK1FLT3

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 PIM1 88/4885PIM3 111/4885MAPT 1391/4885

“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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