SCHEMBL16898873

SCHEMBL16898873

Cn1cc2cc([N+](=O)[O-])c(N3CCC(CO)CC3)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 8/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ GPR174 Q9BXC1 3/20 0.39
▸ CTPS1 P17812 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ CSF1R P07333 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
SCHEMBL16898997 0.87 MAPT (0.49) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL16898812 0.87 MAPT (0.41) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL16898891 0.86 MEN1 (0.46) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL16898920 0.83 MAPT (0.50) SMN1; SMN2MAPTALDH1A1LMNAGAA
SCHEMBL16898998 0.83 ALDH1A1 (0.51) SMN1; SMN2MAPTALDH1A1LMNAGAA
SCHEMBL16898829 0.83 LMNA (0.44) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL16898851 0.83 LMNA (0.44) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL16898827 0.83 LMNA (0.44) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL16898910 0.82 ALDH1A1 (0.53) SMN1; SMN2MAPTALDH1A1LMNAGAA
SCHEMBL16899039 0.82 ALDH1A1 (0.53) SMN1; SMN2MAPTALDH1A1LMNAGAA

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 SMN1; SMN2 1117/4885KMT2A 341/4885MEN1 2151/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 SMN1; SMN2 1117/4885KMT2A 341/4885MEN1 2151/4885

“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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