SCHEMBL10046382

SCHEMBL10046382

Bc1c(OC)ccc2c(S)cc(-c3cncs3)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.37
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
BDKRB2 P30411 1/20 0.33
CD38 P28907 2/20 0.33
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
LRRK2 Q5S007 1/20 0.33
PDE7A Q13946 1/20 0.33

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
SCHEMBL9892705 0.86 CYP19A1 (0.42) PDE10APIK3CDPIK3CAPIK3CGNPC1
SCHEMBL10046378 0.78 TDO2 (0.39) PDE10ANPC1RAB9AKDM4ELMNA
SCHEMBL10046380 0.76 NPC1 (0.34) NPC1RAB9AKDM4EMAPTLRRK2
SCHEMBL10046381 0.74 KDR (0.34) PDE10ANPC1RAB9AKDM4ELMNA
SCHEMBL10046376 0.74 PDGFRB (0.38) PDE10APIK3CGNPC1RAB9ALMNA
SCHEMBL9892687 0.74 TYR (0.40) NPC1RAB9AKDM4ELMNAMAPT
SCHEMBL26260088 0.72 HIF1A (0.41) PDE10APIK3CDPIK3CAPIK3CGNPC1
SCHEMBL10046377 0.71 HPGDS (0.48) PDE10AIDO1TDO2
SCHEMBL27945885 0.68 PIK3CD (0.43) PDE10APIK3CDPIK3CAPIK3CGNPC1
SCHEMBL27258890 0.66 ESR1 (0.45) PDE10APIK3CDPIK3CAPIK3CGKDM4E

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-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES HCCS, CYP3A7, ABL1 PDE10A 3910/4885PIK3CD 3265/4885PIK3CA 2591/4885

“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.