SCHEMBL17373830

SCHEMBL17373830

CN1NCc2cc(N3CCCCC3)c(NC(=O)c3cccc(Br)n3)cc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.47
▸ PIM3 Q86V86 2/20 0.47
▸ IRAK4 Q9NWZ3 8/20 0.45
▸ MAPT P10636 4/20 0.41
▸ BRPF1 P55201 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPK10 P53779 1/20 0.40
▸ NTRK3 Q16288 1/20 0.40
▸ NTRK2 Q16620 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ GRM5 P41594 1/20 0.39

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
SCHEMBL17373751 0.80 IRAK4 (0.51) PIM1PIM3IRAK4MAPTBRPF1
SCHEMBL16898801 0.80 IRAK4 (0.54) PIM1PIM3IRAK4MAPTBRPF1
SCHEMBL23293468 0.78 CSF1R (0.56) PIM1PIM3IRAK4MAPTALDH1A1
SCHEMBL31157977 0.78 CSF1R (0.56) PIM1PIM3IRAK4MAPTALDH1A1
SCHEMBL17373869 0.78 PIM1 (0.48) PIM1PIM3IRAK4MAPTBRPF1
SCHEMBL20623368 0.73 PIM1 (0.52) PIM1PIM3IRAK4MAPTALDH1A1
SCHEMBL20598735 0.73 NTRK1 (0.57) PIM1PIM3IRAK4MAPTALDH1A1
SCHEMBL30501448 0.73 NTRK1 (0.57) PIM1PIM3IRAK4MAPTALDH1A1
SCHEMBL20598482 0.73 PIM1 (0.51) PIM1PIM3IRAK4MAPTALDH1A1
SCHEMBL30501501 0.73 PIM1 (0.51) PIM1PIM3IRAK4MAPTALDH1A1

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 111/4885IRAK4 1/4885

“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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