SCHEMBL5429124

SCHEMBL5429124

CCc1ccc(CCNc2nc(C)nc3sc(C)cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ GALR3 O60755 1/20 0.47
▸ NR2F2 P24468 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ HTT P42858 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 4/20 0.39
▸ APP P05067 2/20 0.37
▸ BCHE P06276 2/20 0.37
▸ ACHE P22303 2/20 0.37
▸ PRKCI P41743 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL5427207 0.91 GALR3 (0.48) KDM4EALDH1A1HSD17B10NPC1GALR3
SCHEMBL5436049 0.89 NPC1 (0.47) KDM4EALDH1A1HSD17B10NPC1GALR3
SCHEMBL5438221 0.89 L3MBTL1 (0.48) KDM4EALDH1A1HSD17B10NPC1GALR3
SCHEMBL5433559 0.89 NPC1 (0.47) KDM4EALDH1A1HSD17B10NPC1GALR3
SCHEMBL5444805 0.89 SMN1; SMN2 (0.47) KDM4EALDH1A1HSD17B10NPC1GALR3
SCHEMBL5426412 0.88 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10NPC1GALR3
SCHEMBL5435676 0.87 MAPT (0.48) KDM4EALDH1A1HSD17B10NPC1GALR3
SCHEMBL5429794 0.86 NPC1 (0.53) KDM4EALDH1A1HSD17B10NPC1GALR3
SCHEMBL5444677 0.84 HTT (0.53) KDM4EALDH1A1HSD17B10NPC1GALR3
SCHEMBL5436032 0.83 HTT (0.67) ALDH1A1GALR3NR2F2SMN1; SMN2HTT

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 KDM4E 1994/4885ALDH1A1 3149/4885HSD17B10 3305/4885

“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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