SCHEMBL16899210

SCHEMBL16899210

COCCn1nc(C)c2cc([N+](=O)[O-])c(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.40
▸ ADORA2B P29275 2/20 0.40
▸ PTGES O14684 1/20 0.38
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ESPL1 Q14674 1/20 0.32

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
SCHEMBL16898946 0.81 ALDH1A1 (0.37) PTGESLMNAHTTRAB9ACNR1
SCHEMBL16899225 0.79 ADORA2A (0.51) ADORA2AADORA2BLMNAHTTRAB9A
SCHEMBL14923635 0.78 CNR2 (0.55) LMNACNR1ACHECNR2MEN1
SCHEMBL30860213 0.78 CNR2 (0.46) ADORA2AADORA2BHTTCNR1ACHE
SCHEMBL14908867 0.78 CNR2 (0.46) ADORA2AADORA2BHTTCNR1ACHE
SCHEMBL16899004 0.77 MAPT (0.41) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL16898929 0.75 MAPT (0.38) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL16899215 0.72 MAPT (0.34) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL15081229 0.72 CREBBP (0.39) LMNAHTTCNR1ACHECNR2
SCHEMBL30615360 0.70 CNR2 (0.52) LMNACNR1ACHECNR2MEN1

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 ADORA2A 2938/4885ADORA2B 2902/4885PTGES 4247/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 ADORA2A 2938/4885ADORA2B 2902/4885PTGES 4247/4885

“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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