SCHEMBL5433559

SCHEMBL5433559

Cc1nc(NCCc2ccc(F)cc2)c2cc(C)sc2n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ GALR3 O60755 1/20 0.47
▸ NR2F2 P24468 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ HTT P42858 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ FLT3 P36888 2/20 0.40
▸ FYN P06241 2/20 0.39
▸ SRC P12931 2/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38

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 0.90 GALR3 (0.48) NPC1RAB9AGALR3NR2F2SMN1; SMN2
SCHEMBL5429124 0.89 KDM4E (0.49) NPC1RAB9AGALR3NR2F2SMN1; SMN2
SCHEMBL5436049 0.88 NPC1 (0.47) NPC1RAB9AGALR3NR2F2SMN1; SMN2
SCHEMBL5438221 0.88 L3MBTL1 (0.48) NPC1RAB9AGALR3NR2F2SMN1; SMN2
SCHEMBL5444805 0.88 SMN1; SMN2 (0.47) NPC1RAB9AGALR3NR2F2SMN1; SMN2
SCHEMBL5426412 0.87 ALDH1A1 (0.50) NPC1RAB9AGALR3NR2F2SMN1; SMN2
SCHEMBL5433132 0.87 LMNA (0.45) NPC1RAB9AGALR3NR2F2SMN1; SMN2
SCHEMBL5429794 0.85 NPC1 (0.53) NPC1RAB9AGALR3NR2F2SMN1; SMN2
SCHEMBL5435676 0.83 MAPT (0.48) NPC1RAB9AGALR3NR2F2SMN1; SMN2
SCHEMBL5444677 0.83 HTT (0.53) NPC1RAB9AGALR3NR2F2SMN1; SMN2

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 3777/4885RAB9A 1976/4885GALR3 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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