SCHEMBL16898657

SCHEMBL16898657

Cc1nn(C)c2cc(N3CCC(CO[Si](C)(C)C(C)(C)C)CC3)c([N+](=O)[O-])cc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MAPT P10636 9/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HTT P42858 4/20 0.35
▸ TP53 P04637 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GPR174 Q9BXC1 1/20 0.34
▸ CTSB P07858 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL18889901 0.96 SMN1; SMN2 (0.40) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL16898916 0.88 SMN1; SMN2 (0.37) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL18889885 0.86 SMN1; SMN2 (0.39) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL16898918 0.86 MAPT (0.40) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL16899230 0.84 ADORA2A (0.36) —
SCHEMBL18207804 0.83 SMN1; SMN2 (0.43) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL17373906 0.82 ADORA2A (0.36) —
SCHEMBL16899155 0.82 MAPT (0.43) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL16898863 0.79 SMN1; SMN2 (0.43) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL16898937 0.79 MAPT (0.47) SMN1; SMN2MAPTKMT2AALDH1A1MEN1

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 8 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
US-20180201609-A1 INDAZOLE AND AZAINDAZOLE COMPOUNDS AS IRAK-4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-07-19 — — US disclosed
EP-3322698-A1 INDAZOLE AND AZAINDAZOLE COMPOUNDS AS IRAK-4 INHIBITORS Aurigene Discovery Technologies Limited (IN) 2018-05-23 — — EP disclosed
WO-2017009798-A1 INDAZOLE AND AZAINDAZOLE COMPOUNDS AS IRAK-4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-01-19 — — WO 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 (3 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-20180201609-A1 INDAZOLE AND AZAINDAZOLE COMPOUNDS AS IRAK-4 INHIBITORS IRAK4, IRAK3, IRAK2 SMN1; SMN2 2558/4885MAPT 1947/4885KMT2A 333/4885
US-10160753-B2 Indazole compounds as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 SMN1; SMN2 1117/4885MAPT 1817/4885KMT2A 341/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 SMN1; SMN2 1117/4885MAPT 1817/4885KMT2A 341/4885

“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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