SCHEMBL5427049

SCHEMBL5427049

COc1ccccc1CCNc1nc(C)nc2sc(C)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.48
▸ GALR3 O60755 1/20 0.48
▸ NR2F2 P24468 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ IP6K1 Q92551 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL5431122 0.86 KDM4E (0.43) NPC1GALR3NR2F2RAB9ALMNA
SCHEMBL5432135 0.84 NPC1 (0.47) NPC1GALR3NR2F2RAB9ALMNA
SCHEMBL31045146 0.82 RAB9A (0.42) NPC1GALR3NR2F2RAB9AIP6K1
SCHEMBL5442987 0.82 NPC1 (0.71) NPC1GALR3NR2F2RAB9ALMNA
SCHEMBL5426412 0.81 ALDH1A1 (0.50) NPC1GALR3NR2F2RAB9ALMNA
SCHEMBL31045198 0.80 RAB9A (0.41) NPC1GALR3NR2F2RAB9ALMNA
SCHEMBL5435548 0.79 NPC1 (0.59) NPC1GALR3NR2F2RAB9ALMNA
SCHEMBL5429794 0.79 NPC1 (0.53) NPC1GALR3NR2F2RAB9ALMNA
SCHEMBL5425019 0.79 RAB9A (0.50) NPC1GALR3NR2F2RAB9ALMNA
SCHEMBL5432241 0.78 RAB9A (0.48) NPC1GALR3NR2F2RAB9ALMNA

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 NPC1 3777/4885GALR3 305/4885NR2F2 739/4885

“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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