SCHEMBL5432213

SCHEMBL5432213

CCc1cc2c(NCCc3ccc(OC)c(OC)c3)nc(C)nc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.56
▸ GALR3 O60755 2/20 0.56
▸ NR2F2 P24468 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ LMNA P02545 3/20 0.55
▸ MAPT P10636 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ APP P05067 6/20 0.51
▸ BCHE P06276 4/20 0.51
▸ ACHE P22303 4/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48

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
SCHEMBL5442987 0.88 NPC1 (0.71) NPC1GALR3NR2F2RAB9AKDM4E
SCHEMBL5429104 0.87 KDM4E (0.57) NPC1GALR3NR2F2RAB9AKDM4E
SCHEMBL5439725 0.84 NPC1 (0.75) NPC1GALR3NR2F2RAB9AKDM4E
SCHEMBL5433514 0.81 NPC1 (0.67) NPC1GALR3NR2F2RAB9ASMN1; SMN2
SCHEMBL5435548 0.79 NPC1 (0.59) NPC1GALR3NR2F2RAB9ASMN1; SMN2
SCHEMBL1901332 0.78 LMNA (0.61) NPC1GALR3NR2F2RAB9AKDM4E
SCHEMBL5123734 0.77 APP (0.48) NPC1RAB9AAPPBCHEACHE
SCHEMBL5423244 0.77 NPC1 (0.74) NPC1GALR3NR2F2RAB9AKDM4E
SCHEMBL5441336 0.77 NPC1 (0.55) NPC1GALR3NR2F2RAB9AAPP
SCHEMBL5441331 0.75 ADORA2A (0.46) KDM4EALDH1A1HSD17B10SMN1; SMN2LMNA

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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