SCHEMBL2807689

SCHEMBL2807689

O=C1N=NC=C1CCCNC(=O)c1csc(C2CCN(Cc3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KLKB1 P03952 1/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
CCR2 P41597 2/20 0.37
EGLN1 Q9GZT9 1/20 0.37
MCHR1 Q99705 3/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
CHRM4 P08173 1/20 0.36
DRD4 P21917 2/20 0.36
CXCR3 P49682 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL2809162 0.88 ENPP2 (0.41) KLKB1
SCHEMBL21944903 0.70 EGFR (0.46) CYP2D6DRD4
SCHEMBL2807878 0.67 PDE3B (0.50) GSK3BDYRK1AMAPK1
SCHEMBL2809157 0.66 CYP1A2 (0.44) CYP2D6MAPK1
SCHEMBL13423509 0.66 DRD2 (0.47) GSK3BDYRK1AMCHR1DRD4
SCHEMBL18003605 0.66 MEN1 (0.48) DRD4
SCHEMBL2807221 0.66 ADAM17 (0.41)
SCHEMBL13422039 0.66 GSK3B (0.45) GSK3BDYRK1AMCHR1
SCHEMBL13422099 0.65 CACNA1I (0.45) GSK3BDYRK1ADRD4MAPK1
SCHEMBL2809173 0.64 ENPP2 (0.43) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US disclosed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 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-20100240676-A1 THIAZOLE DERIVATIVES CCNE2, PKD1, PKD2 MAOA 3983/4885MAOB 2743/4885KLKB1 1188/4885

“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.