SCHEMBL15033460

SCHEMBL15033460

C(=Cc1cn2ccccc2n1)c1cnc2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.55
RAB9A P51151 12/20 0.50
NPC1 O15118 11/20 0.50
SMN1; SMN2 Q16637 8/20 0.50
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
PAX8 Q06710 1/20 0.42
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
POLB P06746 2/20 0.37
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GFER P55789 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 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
SCHEMBL21323873 0.81 PDE10A (0.61) PDE10ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL19669682 0.79 PDE10A (0.65) PDE10ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9605459 0.76 HDAC1 (0.48) RAB9ANPC1SMN1; SMN2HDAC1HDAC2
SCHEMBL18851551 0.74 HDAC1 (0.49) RAB9ANPC1SMN1; SMN2HDAC1HDAC2
SCHEMBL21397562 0.74 PDE10A (0.58) PDE10ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL15038259 0.72 PDE10A (0.44) PDE10ARAB9ANPC1SMN1; SMN2PAX8
SCHEMBL12923109 0.72 PAX8 (0.63) PDE10ARAB9ANPC1SMN1; SMN2PAX8
SCHEMBL871327 0.71 PTGS1 (0.51) RAB9ANPC1SMN1; SMN2HDAC1HDAC2
SCHEMBL27899681 0.71 PTGS1 (0.47) RAB9ANPC1SMN1; SMN2HDAC1HDAC2
SCHEMBL711461 0.71 KDM4E (0.59) RAB9ANPC1SMN1; SMN2PAX8KDM4E

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
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
US-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS SUNOVION PHARMACEUTICALS INC. 2018-02-08 US 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-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-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 1/4885RAB9A 127/4885NPC1 3300/4885
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN PDE10A 2086/4885RAB9A 957/4885NPC1 458/4885
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors PDE4A, PDE2A, PDE9A PDE10A 6/4885RAB9A 201/4885NPC1 2503/4885
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof COMT, GPR119, NLN PDE10A 2086/4885RAB9A 957/4885NPC1 458/4885

“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.