SCHEMBL16898770

SCHEMBL16898770

Cc1c2cc([N+](=O)[O-])c(N3CCC(O)CC3)cc2nn1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ CTPS1 P17812 1/20 0.39
▸ GPR174 Q9BXC1 3/20 0.39
▸ 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 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ TP53 P04637 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
SCHEMBL16898832 0.85 ALDH1A1 (0.50) MAPTALDH1A1LMNAGAAHTT
SCHEMBL16898800 0.82 KMT2A (0.36) MAPTALDH1A1MEN1KMT2ACTPS1
SCHEMBL16898937 0.81 MAPT (0.47) MAPTALDH1A1MEN1KMT2ACTPS1
SCHEMBL16898997 0.79 MAPT (0.49) MAPTALDH1A1MEN1KMT2ACTPS1
SCHEMBL16899004 0.75 MAPT (0.41) MAPTALDH1A1MEN1KMT2AGPR174
SCHEMBL10151124 0.72 MAPT (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL16898851 0.72 LMNA (0.44) MAPTALDH1A1MEN1KMT2ACTPS1
SCHEMBL16898827 0.72 LMNA (0.44) MAPTALDH1A1MEN1KMT2ACTPS1
SCHEMBL16898829 0.72 LMNA (0.44) MAPTALDH1A1MEN1KMT2ACTPS1
SCHEMBL16898837 0.72 MAPT (0.43) MAPTALDH1A1MEN1KMT2ALMNA

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 1904/4885MEN1 2151/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 MAPT 1817/4885ALDH1A1 1904/4885MEN1 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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