SCHEMBL15023640

SCHEMBL15023640

C(=C/c1nc2c3ncccc3ccn2n1)\c1cnc2ccccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
PAX8 Q06710 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAOB P27338 1/20 0.33
PDE10A Q9Y233 3/20 0.32
SLC40A1 Q9NP59 1/20 0.32
LMNA P02545 2/20 0.31
PIM1 P11309 1/20 0.31
GMNN O75496 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP2 P08253 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 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
SCHEMBL15023643 1.00 RAB9A (0.39) RAB9ANPC1PAX8SMN1; SMN2ALDH1A1
SCHEMBL7506327 0.87 RAB9A (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL7506337 0.87 RAB9A (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL15033532 0.84 PDE10A (0.45) RAB9ANPC1PAX8SMN1; SMN2ALDH1A1
SCHEMBL10277550 0.74 ERN1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL15023843 0.74 PDE10A (0.44) KDM4EPDE10ALMNACYP3A4MAPT
SCHEMBL15023842 0.74 PDE10A (0.44) KDM4EPDE10ALMNACYP3A4MAPT
SCHEMBL7518208 0.72 PDE10A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12068203 0.72 PDE10A (0.52) PDE10A
SCHEMBL7518218 0.72 PDE10A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E

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 RAB9A 127/4885NPC1 3300/4885PAX8 1576/4885
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN RAB9A 957/4885NPC1 458/4885PAX8 2299/4885
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors PDE4A, PDE2A, PDE9A RAB9A 201/4885NPC1 2503/4885PAX8 2007/4885
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof COMT, GPR119, NLN RAB9A 957/4885NPC1 458/4885PAX8 2299/4885

“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.