SCHEMBL6006477

SCHEMBL6006477

S=[C]NCc1cnc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.56
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GPR3 P46089 1/20 0.40
FAAH O00519 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6006695 0.83 PDE10A (0.56) PDE10AMAPTMEN1KMT2ACYP1A2
SCHEMBL6006674 0.77 KDM1A (0.47) PDE10ACYP1A2KDM4EFAAHLMNA
SCHEMBL9733209 0.77 PDE10A (0.62) PDE10AMAPTMEN1KMT2ACYP1A2
SCHEMBL12066225 0.73 PDE10A (1.00) PDE10AMAPTMEN1KMT2A
SCHEMBL24449038 0.72 PDE10A (0.56) PDE10AMAPTMEN1KMT2ACYP1A2
SCHEMBL6008578 0.71 KDM4E (0.39) PDE10AMAPTCYP1A2KDM4EGPR3
SCHEMBL6008488 0.71 KDM4E (0.39) MAPTKMT2ACYP1A2KDM4EGPR3
SCHEMBL21674292 0.71 PDE10A (0.55) PDE10AMAPTMEN1KMT2ACYP1A2
SCHEMBL2849102 0.71 MAOA (0.53) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL27686 0.70 PDE10A (0.69) PDE10AMAPTMEN1KMT2ACYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP 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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 PDE10A 2086/4885MAPT 4279/4885MEN1 4688/4885

“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.