SCHEMBL16898939

SCHEMBL16898939

Cn1ncc2cc([N+](=O)[O-])c(N3CC[C@H](O)C3)cc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM2B Q8NHM5 1/20 0.40
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ GPR174 Q9BXC1 1/20 0.36

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
SCHEMBL16898941 1.00 LMNA (0.43) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL16899007 0.84 SMN1; SMN2 (0.44) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL16899006 0.82 ALDH1A1 (0.50) LMNAMAPTALDH1A1GAASMN1; SMN2
SCHEMBL16898927 0.82 ALDH1A1 (0.47) LMNAKMT2AMAPTALDH1A1GAA
SCHEMBL16899009 0.81 ALDH1A1 (0.52) LMNAMAPTALDH1A1GAASMN1; SMN2
SCHEMBL16899025 0.81 ALDH1A1 (0.52) LMNAMAPTALDH1A1GAASMN1; SMN2
SCHEMBL16898983 0.81 MAPT (0.43) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL20377773 0.81 OPRK1 (0.38) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL20377772 0.81 OPRK1 (0.38) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL18207832 0.79 KMT2A (0.35) LMNAKMT2AMAPTMEN1ALDH1A1

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 LMNA 1599/4885KMT2A 341/4885MAPT 1817/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 LMNA 1599/4885KMT2A 341/4885MAPT 1817/4885

“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.

Send feedback