SCHEMBL16898901

SCHEMBL16898901

COCCn1ncc2cc([N+](=O)[O-])c(N3CCC(NC(=O)O)CC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ POLB P06746 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ GPR174 Q9BXC1 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL16898983 0.87 MAPT (0.43) MAPTPOLBHTTSMN1; SMN2LMNA
SCHEMBL16898808 0.85 MAOA (0.39) MAPTMAOAMAOB
SCHEMBL16898989 0.82 MAPT (0.42) MAPTPOLBHTTSMN1; SMN2LMNA
SCHEMBL16899140 0.80 KMT2A (0.35) MAPTPOLBHTTSMN1; SMN2LMNA
SCHEMBL16899162 0.78 SMN1; SMN2 (0.39) MAPTPOLBHTTSMN1; SMN2LMNA
SCHEMBL16898848 0.78 MAPT (0.42) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL31716743 0.73 GLS (0.42) MAPTHTTSMN1; SMN2LMNAMAOA
SCHEMBL16899218 0.73 KMT2A (0.35) MAPTPOLBHTTSMN1; SMN2LMNA
SCHEMBL16899103 0.72 POLB (0.42) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL16899259 0.71 IRAK4 (0.51) —

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 1817/4885POLB 3591/4885HTT 4438/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 MAPT 1817/4885POLB 3591/4885HTT 4438/4885

“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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