SCHEMBL4432143

SCHEMBL4432143

CSc1nc(-c2cccc(OCCN3CCCC3)c2)c2c(N)c(C(N)=O)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.47
▸ LTA4H P09960 1/20 0.44
▸ BACE1 P56817 1/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ LHCGR P22888 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ADORA2A P29274 4/20 0.41
▸ ADORA1 P30542 4/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ HRH3 Q9Y5N1 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ AVPR1B P47901 1/20 0.39

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
SCHEMBL27502615 0.91 LHCGR (0.50) MAP4K4LTA4HBACE1LHCGRTSHR
SCHEMBL4418728 0.82 LHCGR (0.57) PARP1LHCGRTSHRADORA2AADORA1
SCHEMBL4432379 0.78 LHCGR (0.43) MAP4K4PARP1LHCGRTSHRKDM4E
SCHEMBL4423903 0.77 LHCGR (0.54) PARP1LHCGRTSHRKDM4E
SCHEMBL4423898 0.74 LHCGR (0.55) DHODHLHCGRTSHRADORA2AKDM4E
SCHEMBL4423532 0.73 MAP4K4 (0.51) MAP4K4PARP1KDM4E
SCHEMBL4432167 0.73 LHCGR (0.54) LHCGRTSHRKDM4E
SCHEMBL4428948 0.73 LHCGR (0.52) PARP1LHCGRTSHRADORA2AKDM4E
SCHEMBL4423875 0.72 LHCGR (0.69) LHCGRTSHRADORA2A
SCHEMBL4425074 0.71 LHCGR (0.45) MAP4K4LHCGRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618963-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2009-11-17 — — US disclosed
EP-1886999-A2 Bicyclic heteroaromatic compound N.V. Organon (NL) 2008-02-13 — — EP disclosed
US-20070197527-A1 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-08-23 — — US disclosed
US-7229990-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-06-12 — — US disclosed
US-20030225113-A1 Bicyclic heteroaromatic compounds MERCK SHARP & DOHME B.V. (NL) 2003-12-04 — — US disclosed
EP-1322651-A1 BICYCLIC HETEROAROMATIC COMPOUNDS Akzo Nobel N.V. (NL) 2003-07-02 — — EP disclosed
WO-2002024703-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AKZO NOBEL N.V. (NL) 2002-03-28 — — 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-20030225113-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR MAP4K4 4407/4885LTA4H 3947/4885BACE1 3864/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR MAP4K4 4372/4885LTA4H 4450/4885BACE1 4442/4885

“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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