SCHEMBL16899155

SCHEMBL16899155

Cc1nn(C)c2cc(N3CCC(CO)CC3)c([N+](=O)[O-])cc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HTT P42858 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ GPR174 Q9BXC1 2/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ CTPS1 P17812 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL16898937 0.88 MAPT (0.47) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL16898929 0.85 MAPT (0.38) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL16898926 0.83 ALDH1A1 (0.53) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL16898657 0.82 SMN1; SMN2 (0.40) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL16899007 0.80 SMN1; SMN2 (0.44) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL16898918 0.79 MAPT (0.40) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL18889901 0.78 SMN1; SMN2 (0.40) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL23249961 0.76 ALDH1A1 (0.55) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL31099152 0.76 ALDH1A1 (0.55) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL16898873 0.76 SMN1; SMN2 (0.44) MAPTALDH1A1KMT2AMEN1SMN1; SMN2

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 8 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
US-20180201609-A1 INDAZOLE AND AZAINDAZOLE COMPOUNDS AS IRAK-4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-07-19 — — US disclosed
EP-3322698-A1 INDAZOLE AND AZAINDAZOLE COMPOUNDS AS IRAK-4 INHIBITORS Aurigene Discovery Technologies Limited (IN) 2018-05-23 — — EP disclosed
WO-2017009798-A1 INDAZOLE AND AZAINDAZOLE COMPOUNDS AS IRAK-4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-01-19 — — WO 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 (3 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-20180201609-A1 INDAZOLE AND AZAINDAZOLE COMPOUNDS AS IRAK-4 INHIBITORS IRAK4, IRAK3, IRAK2 MAPT 1947/4885ALDH1A1 1435/4885KMT2A 333/4885
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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