SCHEMBL2342685

SCHEMBL2342685

O=C1N(c2cccnc2)c2ncccc2C1(Br)Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.48
▸ AR P10275 1/20 0.47
▸ HTT P42858 2/20 0.45
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.38
▸ EP300 Q09472 1/20 0.37
▸ KAT2B Q92831 1/20 0.37
▸ CYP2A6 P11509 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2E1 P05181 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CYP11B2 P19099 2/20 0.34
▸ CYP11B1 P15538 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
SCHEMBL1150372 0.87 EGLN1 (0.42) ELANEGAAMAPK1ALDH1A1EGLN1
SCHEMBL8687319 0.72 LMNA (0.35) GAAMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL9469392 0.69 PGR (0.56) ELANEGAAMAPK1ALDH1A1EGLN1
SCHEMBL8654708 0.69 ALDH1A1 (0.40) ELANEALDH1A1MARK3
SCHEMBL2345043 0.68 MAPT (0.48) ELANEARHTTGAAMAPT
SCHEMBL9469489 0.67 EGLN1 (0.43) ELANEARGAAMAPK1ALDH1A1
SCHEMBL9211380 0.66 ALDH1A1 (0.70) ELANEHTTMAPTHSD17B10MAPK1
SCHEMBL9469382 0.66 PGR (0.43) ELANEGAAMAPTALDH1A1EGLN1
SCHEMBL2590024 0.66 CYP19A1 (0.38) GAAMAPTALDH1A1KAT2BKDM4E
SCHEMBL9839213 0.66 ELANE (0.59) ELANEMAPK1ALDH1A1EGLN1CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008491-B2 poly(adenosine 5'-diphosphate ribose) polymerase inhibitors such as 1-phenyl-2-(piperazin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridine-3-carboxaldehyde, used in the treatment and/or prevention central nervous system and cardiovascular disorders AVENTIS PHARMACEUTICALS, INC. (US) 2011-08-30 — — US disclosed
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2008-10-16 — — US disclosed
US-7405300-B2 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMAVEUTICALS INC. (US) 2008-07-29 — — US disclosed
EP-1663202-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals, Inc. (US) 2006-06-07 — — EP disclosed
WO-2005023246-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-17 — — WO disclosed
US-20050054631-A1 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 — — US 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-20050054631-A1 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) PARP1, PARP11, PARP3 ELANE 3878/4885AR 926/4885HTT 417/4885
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP11, PARP15 ELANE 3936/4885AR 979/4885HTT 626/4885

“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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