SCHEMBL15033539

SCHEMBL15033539

COc1nc2c3cccnc3ccc2n1C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.48
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 1/20 0.40
TLR7 Q9NYK1 2/20 0.40
ERN1 O75460 1/20 0.38

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
SCHEMBL27940721 0.81 PDE10A (0.41) PDE10AKDM4EMAPT
SCHEMBL12068237 0.80 PDE10A (0.54) PDE10ALMNAKDM4EMAPTCYP3A4
SCHEMBL605923 0.79 PDE10A (0.50) PDE10ALMNAKDM4EMAPTCYP3A4
SCHEMBL27940741 0.79 PDE10A (0.54) PDE10ALMNAKDM4EMAPTCYP3A4
Ammonia Solution, Strong SCHEMBL17583545 0.78 PDE10A (0.49) PDE10ALMNAKDM4EMAPTCYP3A4
SCHEMBL10345238 0.78 PDE10A (0.72) PDE10ALMNAKDM4EMAPTTLR7
Bromide SCHEMBL13822734 0.77 PDE10A (0.48) PDE10ALMNAKDM4EMAPTCYP3A4
SCHEMBL83775 0.77 PDE10A (0.48) PDE10ALMNAKDM4EMAPTCYP3A4
SCHEMBL4952115 0.75 PDE10A (0.47) PDE10ALMNAKDM4EMAPTCYP3A4
SCHEMBL10309409 0.75 PDE10A (0.59) PDE10ALMNAKDM4EMAPTCYP3A4

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
US-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS SUNOVION PHARMACEUTICALS INC. 2018-02-08 US disclosed
US-9834564-B2 Substituted quinolines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2017-12-05 US disclosed
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-06-18 US disclosed
US-8969349-B2 Substituted quinoxalines and quinoxalinones as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2015-03-03 US disclosed
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2013-06-20 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 (3 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-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS PDE10A, PDE2A, PDE3A PDE10A 1/4885LMNA 3470/4885KDM4E 202/4885
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN PDE10A 2086/4885LMNA 2445/4885KDM4E 969/4885
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof COMT, GPR119, NLN PDE10A 2086/4885LMNA 2445/4885KDM4E 969/4885

“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.