SCHEMBL17254580

SCHEMBL17254580

c1ccn2cc(C3CC3c3cn4ccccc4n3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.59
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RAB9A P51151 10/20 0.49
NPC1 O15118 9/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
GFER P55789 2/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
PKM P14618 3/20 0.45
EPHX2 P34913 1/20 0.45
GAA P10253 1/20 0.45
MIF P14174 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
SCHEMBL17254602 0.87 PDE10A (0.52) PDE10AKDM4EALDH1A1MEN1KMT2A
SCHEMBL17254581 0.83 PDE10A (0.57) PDE10AKDM4EALDH1A1MEN1KMT2A
SCHEMBL16739999 0.81 KDM4E (0.49) PDE10AKDM4EALDH1A1MEN1KMT2A
SCHEMBL8414545 0.78 KDM4E (0.48) PDE10AKDM4EALDH1A1MEN1KMT2A
SCHEMBL31731985 0.77 RAB9A (0.67) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL17201955 0.77 PDE10A (1.00) PDE10A
SCHEMBL19822950 0.77 PDE10A (1.00) PDE10A
SCHEMBL17211112 0.77 PDE10A (1.00) PDE10A
SCHEMBL15724676 0.77 PDE10A (1.00) PDE10A
SCHEMBL17254579 0.76 HDAC4 (0.45) PDE10AKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994590-B2 Substituted [1,2,4]triazolo[1,5-a]pyrazines as phosphodiesterase inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2018-06-12 US disclosed
US-20170037060-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2017-02-09 US disclosed
US-9505751-B2 Substituted [1,2,4]triazolo[1,5-a]pyrazines as phosphodiesterase inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2016-11-29 US disclosed
US-20150322090-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2015-11-12 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 (2 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-20150322090-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN PDE10A 2086/4885KDM4E 969/4885ALDH1A1 560/4885
US-20170037060-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN PDE10A 2086/4885KDM4E 969/4885ALDH1A1 560/4885

“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.