SCHEMBL3213057

SCHEMBL3213057

[c]1ccc(C2CNCCS2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.58
MAOB P27338 4/20 0.54
CYP3A4 P08684 5/20 0.36
CYP2D6 P10635 5/20 0.36
HRH1 P35367 5/20 0.36
CHRM1 P11229 3/20 0.36
KCNH2 Q12809 3/20 0.36
MAP2K1 Q02750 1/20 0.33
MAPT P10636 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1636929 0.81 MAOB (0.63) MAOAMAOBCYP3A4CYP2D6HRH1
Hydrochloric Acid SCHEMBL2436215 0.79 MAOB (0.61) MAOAMAOBCYP3A4CYP2D6HRH1
SCHEMBL27510458 0.79 MAOA (0.59) MAOAMAOBMAP2K1
SCHEMBL12015997 0.78 MAOA (0.68) MAOAMAOBCYP3A4CYP2D6HRH1
SCHEMBL324588 0.78 MAOA (0.63) MAOAMAOBKCNH2MAP2K1MAPT
SCHEMBL1638869 0.78 MAOA (0.63) MAOAMAOBCYP3A4CYP2D6HRH1
SCHEMBL1639044 0.78 MAOA (0.63) MAOAMAOBCYP3A4CYP2D6HRH1
SCHEMBL1681280 0.78 MAOA (0.63) MAOAMAOBCYP3A4CYP2D6HRH1
SCHEMBL18897097 0.78 MAOA (0.63) MAOAMAOBCYP3A4CYP2D6HRH1
SCHEMBL8206421 0.75 MAOA (0.41) MAOAMAOBCYP3A4CYP2D6HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404692-B2 Pyrimidin-4-yl-3, 4-dihydro-2H-pyrrolo [1,2A] pyrazin-1-one compounds CYCLACEL LIMITED (GB) 2013-03-26 US disclosed
US-20100035870-A1 Pyrimidin-4-yl-3, 4-Dihydro-2H-Pyrrolo[1,2A] Pyrazin-1-one Compounds CYCLACEL LIMITED (GB) 2010-02-11 US disclosed
WO-2004026848-A1 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPERATION AND THEIR USE AS ANTIMYCOBACTERIAL AGENTS LUPIN LIMITED (IN) 2004-04-01 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-20100035870-A1 Pyrimidin-4-yl-3, 4-Dihydro-2H-Pyrrolo[1,2A] Pyrazin-1-one Compounds CYP2A13, NR1I3, NR3C2 MAOA 2047/4885MAOB 1538/4885CYP3A4 77/4885

“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.