SCHEMBL4422529

SCHEMBL4422529

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.42
▸ LHCGR P22888 6/20 0.41
▸ FSHR P23945 1/20 0.41
▸ TSHR P16473 2/20 0.39
▸ MAP4K4 O95819 2/20 0.37
▸ BRAF P15056 2/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ PI4K2A Q9BTU6 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 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
SCHEMBL4425812 0.90 LHCGR (0.49) JAK3LHCGRFSHRTSHRMAP4K4
SCHEMBL4425074 0.89 LHCGR (0.45) LHCGRFSHRTSHRMAP4K4BRAF
SCHEMBL4423532 0.84 MAP4K4 (0.51) JAK3MAP4K4LMNA
SCHEMBL4425814 0.83 LHCGR (0.40) JAK3LHCGRFSHRTSHRMAP4K4
SCHEMBL4432379 0.82 LHCGR (0.43) LHCGRFSHRTSHRMAP4K4BRAF
SCHEMBL5034074 0.81 LHCGR (0.51) LHCGRFSHRTSHRMAP4K4LMNA
SCHEMBL4423903 0.81 LHCGR (0.54) LHCGRFSHRTSHRBRAFKMT2A
SCHEMBL5024555 0.81 LHCGR (0.55) LHCGRFSHRTSHRBRAF
SCHEMBL4418728 0.79 LHCGR (0.57) LHCGRTSHRBRAFMAPT
SCHEMBL5028843 0.76 LHCGR (0.72) LHCGRFSHRTSHRBRAF

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
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

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 JAK3 3002/4885LHCGR 13/4885FSHR 3/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR JAK3 2306/4885LHCGR 10/4885FSHR 3/4885

“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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