SCHEMBL4655702

SCHEMBL4655702

COc1cc2ccnc(-c3ccc(N4C[C@@H](C)O[C@@H](C)C4)nc3)c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.45
GAK O14976 1/20 0.44
LRRK2 Q5S007 5/20 0.43
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
AOC3 Q16853 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4656732 0.83 PDE10A (0.60) PDE10AMEN1KMT2ATLR8TLR7
SCHEMBL31216784 0.75 PDE3B (0.54) PDE10AKDM4EHPGDHTTGAK
SCHEMBL4655563 0.73 MEN1 (0.55) PDE10AKDM4EHPGDMEN1KMT2A
SCHEMBL2460475 0.71 MEN1 (0.66) PDE10AKDM4EHPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL1022954 0.70 MEN1 (0.64) PDE10AKDM4EHPGDMEN1KMT2A
SCHEMBL30018686 0.69 PDE10A (0.46) PDE10ATSHR
SCHEMBL30789068 0.69 MEN1 (0.59) PDE10AKDM4EHPGDMEN1KMT2A
SCHEMBL4712213 0.68 PDE10A (0.57) PDE10AMEN1KMT2A
SCHEMBL31217313 0.67 KDM4E (0.40) KDM4EHPGDMEN1KMT2AHTT
Bromide SCHEMBL8002743 0.67 MEN1 (0.60) PDE10AHPGDMEN1KMT2AALDH1A1

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
EP-1996574-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-12-03 EP disclosed
US-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-12-27 US disclosed
US-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-12-27 US disclosed
US-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-12-27 US disclosed
WO-2007103554-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 WO disclosed
WO-2007103554-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 WO 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-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors PDE12, PDE10A, PDE4A PDE10A 2/4885KDM4E 1286/4885HPGD 942/4885

“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.