SCHEMBL4423532

SCHEMBL4423532

CSc1nc(-c2cccc(NC(=O)CN3CCOCC3)c2)c2c(N)c(C(N)=O)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.51
JAK3 P52333 2/20 0.49
ALDH1A1 P00352 7/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.44
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EGFR P00533 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL27524704 0.92 MAP4K4 (0.48) MAP4K4JAK3ALDH1A1HTTMAPK1
SCHEMBL4422529 0.84 JAK3 (0.42) MAP4K4JAK3LMNA
SCHEMBL5030719 0.83 BRAF (0.51) MAP4K4JAK3ALDH1A1HTTMAPK1
SCHEMBL4425074 0.82 LHCGR (0.45) MAP4K4
SCHEMBL6536790 0.79 LHCGR (0.46) MAP4K4JAK3ALDH1A1HTTMAPK1
SCHEMBL30673523 0.79 LHCGR (0.64) MAP4K4JAK3MAPK1
SCHEMBL5026884 0.79 LHCGR (0.64) MAP4K4JAK3MAPK1
SCHEMBL4432379 0.76 LHCGR (0.43) MAP4K4PARP1KDM4ESMN1; SMN2EGFR
SCHEMBL5030680 0.76 LHCGR (0.53) MAP4K4ALDH1A1
SCHEMBL5026102 0.76 LHCGR (0.53)

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-7618963-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2009-11-17 US 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 4407/4885JAK3 3002/4885ALDH1A1 1372/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR MAP4K4 4372/4885JAK3 2306/4885ALDH1A1 1340/4885

“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.