SCHEMBL5425019

SCHEMBL5425019

COc1cccc(CCNc2nc(C)nc3sc(C)cc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ GALR3 O60755 1/20 0.50
▸ NR2F2 P24468 1/20 0.50
▸ CHRM2 P08172 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ CLK1 P49759 1/20 0.46
▸ CSNK2A2 P19784 2/20 0.45
▸ CSNK2A1 P68400 2/20 0.45
▸ TP53 P04637 2/20 0.44
▸ ADORA3 P0DMS8 2/20 0.43
▸ ADORA2A P29274 2/20 0.43
▸ ADORA2B P29275 2/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ APP P05067 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL5435521 0.94 MTNR1A (0.46) RAB9ANPC1GALR3NR2F2CHRM2
SCHEMBL5441347 0.89 APP (0.53) RAB9ACLK1TP53ADORA3ADORA2A
SCHEMBL5432241 0.89 RAB9A (0.48) RAB9ANPC1GALR3NR2F2CLK1
SCHEMBL5423687 0.88 RAB9A (0.48) RAB9ANPC1GALR3NR2F2CHRM2
SCHEMBL31044998 0.88 RAB9A (0.48) RAB9ANPC1GALR3NR2F2CHRM2
SCHEMBL5429794 0.87 NPC1 (0.53) RAB9ANPC1GALR3NR2F2ADORA3
SCHEMBL5423234 0.86 NPC1 (0.46) RAB9ANPC1GALR3NR2F2CSNK2A2
SCHEMBL5426412 0.85 ALDH1A1 (0.50) RAB9ANPC1GALR3NR2F2CSNK2A2
SCHEMBL5433132 0.84 LMNA (0.45) RAB9ANPC1GALR3NR2F2CSNK2A2
SCHEMBL5436019 0.84 FGFR1 (0.45) RAB9ANPC1GALR3NR2F2ADORA3

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 RAB9A 1976/4885NPC1 3777/4885GALR3 305/4885

“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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