SCHEMBL8186368

SCHEMBL8186368

C#CCn1c(=O)c(NC(=O)c2ccc(OC)c(OC)c2)c(N)n(CC)c1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ TP53 P04637 1/20 0.48
▸ PKM P14618 2/20 0.45
▸ CYP2B6 P20813 1/20 0.45
▸ TSHR P16473 4/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ PDE4D Q08499 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL8194740 0.87 CYP2B6 (0.43) MAPTTP53PKMCYP2B6TSHR
SCHEMBL2536394 0.84 MAPT (0.35) MAPTTP53L3MBTL1KMT2ASMN1; SMN2
SCHEMBL8189626 0.76 TSHR (0.55) MAPTTP53PKMTSHRL3MBTL1
SCHEMBL30632573 0.72 MEN1 (0.52) MAPTTP53PKMKMT2APDE4D
SCHEMBL28452461 0.67 MEN1 (0.46) KMT2ASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL28460284 0.67 FDPS (0.50) KMT2AALDH1A1MEN1
SCHEMBL3826678 0.67 EEF2K (0.37) MAPTTSHRL3MBTL1KMT2ASMN1; SMN2
SCHEMBL22231439 0.67 NR1H4 (0.59) MAPTTP53TSHRL3MBTL1KMT2A
SCHEMBL2538035 0.65 ADORA2B (0.39) MAPTTSHRALDH1A1GAAPOLB
SCHEMBL7730989 0.65 ADORA2A (0.51) MAPTTP53PKMKMT2APDE4D

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-8044061-B2 Parkinson's disease, catalepsy, dystonia, dyskinetic syndrome, restless legs syndrome, migraine, pain, dementia, neurodegenerative disorders, alcohol withdrawal and/or ischemic conditions such as e.g. stroke or cardiac ischemia. UCB PHARMA GMBH (DE) 2011-10-25 — — US disclosed
US-20080221134-A1 8-ALKYNYLXANTHINES AND DERIVATIVES RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAET BONN (DE) 2008-09-11 — — US disclosed
WO-2008077557-A1 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS SCHWARZ PHARMA AG (DE) 2008-07-03 — — 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-20080221134-A1 8-ALKYNYLXANTHINES AND DERIVATIVES SLC6A3, PARK7, SLC18A2 MAPT 757/4885TP53 4880/4885PKM 1660/4885

“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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