SCHEMBL6216809

SCHEMBL6216809

CCOC(=S)c1sc2nc(C)nc(-c3cccc(Br)c3)c2c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LHCGR P22888 5/20 0.38
BRAF P15056 5/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38

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
SCHEMBL5025998 0.90 BRAF (0.46) MAPTKDM4EALDH1A1GAAMAPK1
SCHEMBL4432076 0.88 LHCGR (0.50) MAPTKDM4EALDH1A1GAAMAPK1
SCHEMBL6216687 0.87 ALDH1A1 (0.50) MAPTKDM4EALDH1A1GAAMAPK1
SCHEMBL4427614 0.84 MAPT (0.48) MAPTKDM4EALDH1A1GAAMAPK1
SCHEMBL6217543 0.84 SMN1; SMN2 (0.44) MAPTKDM4EALDH1A1GAAMAPK1
SCHEMBL6217503 0.83 BRAF (0.42) MAPTKDM4EALDH1A1GAAMAPK1
SCHEMBL6216800 0.81 IKBKB (0.43) MAPTKDM4EALDH1A1GAAMAPK1
SCHEMBL6214501 0.81 MAPT (0.49) MAPTKDM4EALDH1A1GAAHTT
SCHEMBL6217044 0.81 LHCGR (0.42) MAPTKDM4EALDH1A1GAAMAPK1
SCHEMBL6216335 0.79 EEF2K (0.38) MAPTKDM4EALDH1A1GAAMAPK1

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 MAPT 4619/4885KDM4E 2123/4885ALDH1A1 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.