SCHEMBL6217802

SCHEMBL6217802

CSc1nc(-c2ccccc2)c2c(N)c(C(=O)NC3CC3)sc2n1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LHCGR P22888 8/20 0.58
▸ TSHR P16473 2/20 0.56
▸ CHRM4 P08173 5/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ CHRM2 P08172 2/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ FSHR P23945 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ BRAF P15056 2/20 0.46
▸ PDE4A P27815 2/20 0.46
▸ PDE4B Q07343 2/20 0.46
▸ PDE4C Q08493 2/20 0.46
▸ PDE4D Q08499 2/20 0.46

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
SCHEMBL6216753 0.95 LHCGR (0.55) LHCGRTSHRCHRM4KDM4EALDH1A1
SCHEMBL6215311 0.84 LHCGR (0.61) LHCGRTSHRKDM4EALDH1A1POLB
SCHEMBL6216455 0.84 LHCGR (0.59) LHCGRTSHRKDM4EALDH1A1FSHR
SCHEMBL6217403 0.83 LHCGR (0.60) LHCGRTSHRCHRM4KDM4EALDH1A1
SCHEMBL6217652 0.82 LIMK1 (0.58) LHCGRTSHRKDM4EALDH1A1LMNA
SCHEMBL6217958 0.82 CHRM4 (0.60) LHCGRTSHRCHRM4ALDH1A1LMNA
SCHEMBL6216808 0.82 LHCGR (0.64) LHCGRTSHRKDM4EALDH1A1POLB
SCHEMBL6220425 0.81 LHCGR (0.55) LHCGRTSHRCHRM4POLBL3MBTL1
SCHEMBL6217299 0.80 LHCGR (0.50) LHCGRTSHRFSHRBRAF
SCHEMBL6215184 0.80 LHCGR (0.51) LHCGRTSHRCHRM4KDM4EALDH1A1

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.

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