SCHEMBL16899004

SCHEMBL16899004

COCCn1nc(C)c2cc([N+](=O)[O-])c(N3CCC(O)CC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GPR174 Q9BXC1 2/20 0.38
▸ CTSB P07858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ REN P00797 1/20 0.35

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
SCHEMBL16898929 0.90 MAPT (0.38) MAPTALDH1A1KMT2AMEN1TP53
SCHEMBL16899215 0.85 MAPT (0.34) MAPTALDH1A1KMT2AMEN1TP53
SCHEMBL16898937 0.83 MAPT (0.47) MAPTALDH1A1KMT2AMEN1TP53
SCHEMBL16898916 0.83 SMN1; SMN2 (0.37) MAPTALDH1A1KMT2AMEN1TP53
SCHEMBL16899210 0.77 ADORA2A (0.40) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL29855769 0.76 KHK (0.42) REN
SCHEMBL16898770 0.75 MAPT (0.47) MAPTALDH1A1KMT2AMEN1TP53
SCHEMBL16899155 0.74 MAPT (0.43) MAPTALDH1A1KMT2AMEN1TP53
SCHEMBL16898997 0.72 MAPT (0.49) MAPTALDH1A1KMT2AMEN1TP53
SCHEMBL16898901 0.71 MAPT (0.43) MAPTKMT2AMEN1TP53HTT

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-3092226-B1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2019-03-13 — — EP disclosed
US-10160753-B2 Indazole compounds as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-12-25 — — US disclosed
EP-3092226-A1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS Aurigene Discovery Technologies Limited (IN) 2016-11-16 — — EP 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-10160753-B2 Indazole compounds as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 MAPT 1817/4885ALDH1A1 1904/4885KMT2A 341/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 MAPT 1817/4885ALDH1A1 1904/4885KMT2A 341/4885

“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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