SCHEMBL16899103

SCHEMBL16899103

O=C(O)NC1CCN(c2cc3[nH]ncc3cc2[N+](=O)[O-])CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ SMYD3 Q9H7B4 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PAK1 Q13153 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 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
SCHEMBL16899042 0.81 SMN1; SMN2 (0.42) POLBTDP1MAPTMEN1KMT2A
SCHEMBL16751169 0.80 MAPT (0.48) POLBMAPTMAPK1CYP3A4
SCHEMBL16751155 0.80 MAPT (0.51) POLBMAPTMAPK1CYP3A4
SCHEMBL31324405 0.80 MEN1 (0.41) POLBTDP1MAPTMEN1KMT2A
SCHEMBL16741400 0.79 MEN1 (0.43) POLBTDP1MAPTMEN1KMT2A
SCHEMBL16899119 0.79 ALDH1A1 (0.53) POLBMAPTMAPK1CYP3A4
SCHEMBL16898912 0.79 ALDH1A1 (0.53) POLBMAPTMAPK1CYP3A4
SCHEMBL16898983 0.78 MAPT (0.43) POLBTDP1MAPTMEN1KMT2A
SCHEMBL31324343 0.77 MAPT (0.43) POLBTDP1MAPTMEN1KMT2A
SCHEMBL31324317 0.77 MAPT (0.50) POLBTDP1MAPTMAPK1CYP3A4

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 POLB 3591/4885ROCK2 384/4885ROCK1 229/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 POLB 3591/4885ROCK2 384/4885ROCK1 229/4885

“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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