SCHEMBL5423720

SCHEMBL5423720

COc1ccc(CCNc2ncnc3sc(C(C)C)cc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
GALR3 O60755 2/20 0.55
NR2F2 P24468 2/20 0.55
LMNA P02545 4/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
AURKA O14965 1/20 0.48
RPS6KB1 P23443 1/20 0.48
MAPT P10636 5/20 0.48
TP53 P04637 3/20 0.48
POLB P06746 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL27697469 0.94 NPC1 (0.49) NPC1RAB9AGALR3NR2F2LMNA
SCHEMBL5429306 0.86 EGFR (0.53) NPC1RAB9AGALR3NR2F2LMNA
SCHEMBL5439670 0.85 RAB9A (0.74) NPC1RAB9AGALR3NR2F2LMNA
SCHEMBL5264803 0.84 NPC1 (0.57) NPC1RAB9AGALR3NR2F2LMNA
SCHEMBL5429336 0.83 KDM4E (0.61) NPC1RAB9AGALR3NR2F2LMNA
SCHEMBL5436053 0.82 NPC1 (0.55) NPC1RAB9AGALR3NR2F2LMNA
SCHEMBL5264197 0.80 NPC1 (0.53) NPC1RAB9AGALR3NR2F2LMNA
SCHEMBL5432017 0.79 HTT (0.58) RAB9ALMNAHTTSMN1; SMN2AURKA
SCHEMBL5423236 0.78 RAB9A (0.73) NPC1RAB9AGALR3NR2F2LMNA
SCHEMBL5423762 0.76 KDM4E (0.50) NPC1RAB9AGALR3NR2F2LMNA

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.