SCHEMBL16898929

SCHEMBL16898929

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.38
▸ HTT P42858 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ GPR174 Q9BXC1 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ CTSB P07858 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ REN P00797 1/20 0.34

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
SCHEMBL16899004 0.90 MAPT (0.41) MAPTHTTTP53SMN1; SMN2GPR174
SCHEMBL16898916 0.85 SMN1; SMN2 (0.37) MAPTHTTTP53SMN1; SMN2GPR174
SCHEMBL16899155 0.85 MAPT (0.43) MAPTHTTTP53SMN1; SMN2GPR174
SCHEMBL16899215 0.83 MAPT (0.34) MAPTHTTTP53SMN1; SMN2GPR174
SCHEMBL16899210 0.75 ADORA2A (0.40) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL16898873 0.74 SMN1; SMN2 (0.44) MAPTHTTSMN1; SMN2GPR174ALDH1A1
SCHEMBL16898937 0.73 MAPT (0.47) MAPTHTTTP53SMN1; SMN2GPR174
SCHEMBL16899007 0.72 SMN1; SMN2 (0.44) MAPTHTTTP53SMN1; SMN2GPR174
SCHEMBL20787520 0.71 REN (0.32) KMT2AREN
SCHEMBL16898657 0.71 SMN1; SMN2 (0.40) MAPTHTTTP53SMN1; SMN2GPR174

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 1817/4885HTT 4438/4885TP53 2182/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 MAPT 1817/4885HTT 4438/4885TP53 2182/4885

“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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