SCHEMBL6465823

SCHEMBL6465823

COc1ccc(Oc2ncccc2C(=O)NC2CCC(Nc3ccc4ccccc4n3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.49
PDE4B Q07343 1/20 0.48
KLK7 P49862 1/20 0.47
MAPT P10636 1/20 0.47
MAPK8 P45983 1/20 0.46
AURKA O14965 1/20 0.46
MET P08581 1/20 0.46
KDR P35968 1/20 0.46
TEK Q02763 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TYK2 P29597 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
SCHEMBL6465820 1.00 PDE10A (0.49) PDE10APDE4BKLK7MAPTMAPK8
Hydrochloric Acid SCHEMBL6460028 0.99 PDE10A (0.49) PDE10APDE4BKLK7MAPTMAPK8
Hydrochloric Acid SCHEMBL6460036 0.99 PDE10A (0.49) PDE10APDE4BKLK7MAPTMAPK8
SCHEMBL6456989 0.93 L3MBTL1 (0.54) PDE10APDE4BCNR1CNR2L3MBTL1
SCHEMBL6456996 0.93 L3MBTL1 (0.54) PDE10APDE4BCNR1CNR2L3MBTL1
SCHEMBL6459172 0.93 PDE10A (0.50) PDE10AMAPK8CNR1CNR2
SCHEMBL6459182 0.93 PDE10A (0.50) PDE10AMAPK8CNR1CNR2
Hydrochloric Acid SCHEMBL6462265 0.92 L3MBTL1 (0.53) PDE10APDE4BCNR1CNR2L3MBTL1
Hydrochloric Acid SCHEMBL6462261 0.92 L3MBTL1 (0.53) PDE10APDE4BCNR1CNR2L3MBTL1
Hydrochloric Acid SCHEMBL6462617 0.92 PDE10A (0.49) PDE10AMAPK8CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US claimed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 PDE10A 1335/4885PDE4B 279/4885KLK7 4495/4885

“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.