SCHEMBL15024112

SCHEMBL15024112

C(=Cc1nc2c3cccnc3ccn2n1)c1ccc2cccnc2n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.56
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.35
LMNA P02545 1/20 0.35
PIM1 P11309 1/20 0.34
MAOB P27338 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL15024111 1.00 PDE10A (0.56) PDE10AALDH1A1CYP3A4LMNAPIM1
SCHEMBL7518208 0.88 PDE10A (0.46) PDE10AALDH1A1CYP3A4LMNAKDM4E
SCHEMBL7518218 0.88 PDE10A (0.46) PDE10AALDH1A1CYP3A4LMNAKDM4E
SCHEMBL15023937 0.88 PDE10A (0.44) PDE10AALDH1A1PIM1
SCHEMBL15023936 0.88 PDE10A (0.44) PDE10AALDH1A1PIM1
SCHEMBL15023780 0.86 PDE10A (0.43) PDE10AHTR2AHTR2CHTR2B
SCHEMBL12066595 0.86 PDE10A (0.43) PDE10AHTR2AHTR2CHTR2B
SCHEMBL15023842 0.86 PDE10A (0.44) PDE10ACYP3A4LMNAHTR2AHTR2C
SCHEMBL15023843 0.86 PDE10A (0.44) PDE10ACYP3A4LMNAHTR2AHTR2C
SCHEMBL15033532 0.79 PDE10A (0.45) PDE10AALDH1A1CYP3A4MAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 EP disclosed
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
EP-2576540-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-09-04 EP disclosed
EP-3318561-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2018-05-09 EP disclosed
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 (4 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 1/4885ALDH1A1 559/4885CYP3A4 530/4885
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN PDE10A 2086/4885ALDH1A1 560/4885CYP3A4 191/4885
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors PDE4A, PDE2A, PDE9A PDE10A 6/4885ALDH1A1 1140/4885CYP3A4 1077/4885
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof COMT, GPR119, NLN PDE10A 2086/4885ALDH1A1 560/4885CYP3A4 191/4885

“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.