SCHEMBL5430556

SCHEMBL5430556

COc1ccc(CNc2nc(C)nc3sc(C)cc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 2/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ APP P05067 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ MAP2K4 P45985 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ EGFR P00533 2/20 0.43
▸ NR2F2 P24468 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ USP1 O94782 1/20 0.43
▸ WDR48 Q8TAF3 1/20 0.43

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
SCHEMBL5429794 0.88 NPC1 (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5441347 0.87 APP (0.53) MEN1KMT2ARAB9AAPPMAPT
SCHEMBL5432244 0.86 RAB9A (0.46) CHRM4MEN1KMT2ANPC1RAB9A
SCHEMBL5441336 0.85 NPC1 (0.55) MEN1KMT2ANPC1RAB9AAPP
SCHEMBL5444802 0.84 ICAM1 (0.48) CHRM4MEN1KMT2AAPPMAPT
SCHEMBL5430194 0.82 NPY5R (0.46) MEN1KMT2AAPPMAPTEGFR
SCHEMBL3118967 0.81 TNF (0.48) CHRM4MEN1KMT2ANPC1RAB9A
SCHEMBL5432241 0.79 RAB9A (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5429140 0.78 RXFP1 (0.53) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL5425019 0.78 RAB9A (0.50) NPC1RAB9AAPPMAPTNR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 — — 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-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors GRM2, GRIA2, GRM1 CHRM4 332/4885MEN1 4364/4885KMT2A 1657/4885

“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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