SCHEMBL6217403

SCHEMBL6217403

CSc1nc(-c2ccccc2)c2c(N)c(C(=O)NC(C)C)sc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 8/20 0.60
TSHR P16473 2/20 0.60
CHRM4 P08173 3/20 0.52
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
FSHR P23945 1/20 0.49
KDM4E B2RXH2 4/20 0.48
HTT P42858 1/20 0.44
LIMK1 P53667 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL6427025 0.88 LHCGR (0.78) LHCGRTSHRCHRM4MAPTALDH1A1
SCHEMBL6215311 0.86 LHCGR (0.61) LHCGRTSHRMAPTALDH1A1MEN1
SCHEMBL6216808 0.86 LHCGR (0.64) LHCGRTSHRMAPTALDH1A1FSHR
SCHEMBL6216455 0.85 LHCGR (0.59) LHCGRTSHRMAPTALDH1A1MEN1
SCHEMBL6215139 0.85 LHCGR (0.59) LHCGRTSHRMAPTALDH1A1MEN1
SCHEMBL6217652 0.84 LIMK1 (0.58) LHCGRTSHRMAPTALDH1A1MEN1
SCHEMBL6217958 0.84 CHRM4 (0.60) LHCGRTSHRCHRM4ALDH1A1NPSR1
SCHEMBL6217802 0.83 LHCGR (0.58) LHCGRTSHRCHRM4MAPTALDH1A1
SCHEMBL6216753 0.83 LHCGR (0.55) LHCGRTSHRCHRM4MAPTALDH1A1
SCHEMBL6216728 0.82 LHCGR (0.65) LHCGRTSHRMAPTALDH1A1MEN1

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 1/4885TSHR 176/4885CHRM4 2097/4885

“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.