SCHEMBL2178420

SCHEMBL2178420

COCOc1cc(-c2cc(N3CCCC3)nc(/C=C/c3nc(N(C)C)c4ccccc4n3)n2)ccc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.66
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 1/20 0.42
ACACA Q13085 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
STAT6 P42226 1/20 0.36
NTSR1 P30989 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL2178421 1.00 PDE10A (0.66) PDE10AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2179110 0.93 PDE10A (0.73) PDE10AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2179117 0.93 PDE10A (0.73) PDE10AKDM4EALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL2179742 0.92 PDE10A (0.72) PDE10AKDM4EALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL2179746 0.92 PDE10A (0.72) PDE10AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL12408660 0.87 PDE10A (0.63) PDE10AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2176503 0.86 PDE10A (0.60) PDE10AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2176506 0.86 PDE10A (0.60) PDE10AKDM4EALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL2181017 0.86 PDE10A (0.62) PDE10AKDM4EALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL2181021 0.86 PDE10A (0.62) PDE10AKDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B PDE10A 1/4885KDM4E 397/4885ALDH1A1 1520/4885

“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.