SCHEMBL6217358

SCHEMBL6217358

CSc1nc(-c2cccc(NC(=O)c3ccccc3)c2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 6/20 0.57
BRAF P15056 12/20 0.56
TSHR P16473 1/20 0.56
FSHR P23945 1/20 0.53
IKBKB O14920 1/20 0.47
PDE4A P27815 4/20 0.47
PDE4B Q07343 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47

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
SCHEMBL4421622 0.87 LHCGR (0.60) LHCGRBRAFTSHRFSHRPDE4A
SCHEMBL4422658 0.87 LHCGR (0.58) LHCGRBRAFTSHRFSHRIKBKB
SCHEMBL5024555 0.85 LHCGR (0.55) LHCGRBRAFTSHRFSHRPDE4A
SCHEMBL4432358 0.85 LHCGR (0.55) LHCGRBRAFTSHRFSHRPDE4A
SCHEMBL6217652 0.84 LIMK1 (0.58) LHCGRBRAFTSHRIKBKBPDE4A
SCHEMBL4422865 0.84 LHCGR (0.54) LHCGRBRAFTSHRFSHRIKBKB
SCHEMBL4911478 0.84 BRAF (0.72) LHCGRBRAFTSHRFSHRPDE4A
SCHEMBL6215311 0.83 LHCGR (0.61) LHCGRBRAFTSHRFSHR
SCHEMBL29997908 0.83 LHCGR (0.71) LHCGRBRAFTSHRFSHR
SCHEMBL4423451 0.83 LHCGR (0.51) LHCGRBRAFTSHRFSHRPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171443-B1 BICYCLIC HETEROAROMATIC COMPOUNDS USEFUL AS LH AGONISTS AKZO NOBEL NV (NL) 2005-07-13 EP disclosed
US-6841553-B2 Bicyclic heteroaromatic compounds useful as LH agonists AKZO NOBEL N.V. (NL) 2005-01-11 US disclosed
US-20030212081-A1 Bicyclic heteroaromatic compounds useful as LH agonists MERCK SHARP & DOHME B.V. (NL) 2003-11-13 US disclosed
US-6569863-B1 Luteinizing hormone (LH) agonists for controlling fertility AKZO NOBEL NV (NL) 2003-05-27 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 (1 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-20030212081-A1 Bicyclic heteroaromatic compounds useful as LH agonists LHCGR, GNRHR, FSHR LHCGR 1/4885BRAF 4753/4885TSHR 176/4885

“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.