SCHEMBL6216455

SCHEMBL6216455

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

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LHCGR P22888 8/20 0.59
▸ MAPT P10636 6/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ TSHR P16473 2/20 0.57
▸ KDM4E B2RXH2 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HTT P42858 1/20 0.47
▸ LIMK1 P53667 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ FSHR P23945 1/20 0.47
▸ IKBKB O14920 1/20 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
SCHEMBL6217652 0.91 LIMK1 (0.58) LHCGRMAPTALDH1A1TSHRKDM4E
SCHEMBL5025967 0.90 LHCGR (0.62) LHCGRMAPTALDH1A1TSHRKDM4E
SCHEMBL6215212 0.89 MAPT (0.55) LHCGRMAPTALDH1A1TSHRKDM4E
SCHEMBL6217388 0.88 LHCGR (0.59) LHCGRMAPTALDH1A1TSHRMEN1
SCHEMBL6216808 0.88 LHCGR (0.64) LHCGRMAPTALDH1A1TSHRKDM4E
SCHEMBL2133864 0.88 LHCGR (0.60) LHCGRMAPTALDH1A1TSHRKDM4E
SCHEMBL4419261 0.87 LHCGR (0.77) LHCGRMAPTALDH1A1TSHRKDM4E
SCHEMBL6215311 0.86 LHCGR (0.61) LHCGRMAPTALDH1A1TSHRKDM4E
SCHEMBL6216728 0.86 LHCGR (0.65) LHCGRMAPTALDH1A1TSHRKDM4E
SCHEMBL6217403 0.85 LHCGR (0.60) LHCGRMAPTALDH1A1TSHRKDM4E

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 7 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 claimed
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
EP-1171443-A1 BICYCLIC HETEROAROMATIC COMPOUNDS USEFUL AS LH AGONISTS Akzo Nobel N.V. (NL) 2002-01-16 — — EP disclosed
WO-2000061586-A1 BICYCLIC HETEROAROMATIC COMPOUNDS USEFUL AS LH AGONISTS AKZO NOBEL N.V. (NL) 2000-10-19 — — 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 (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 1/4885MAPT 4619/4885ALDH1A1 757/4885

“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.

Send feedback