SCHEMBL15038259

SCHEMBL15038259

C(=C/c1cn2ccc3ncccc3c2n1)\c1cnc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.44
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
CYP3A4 P08684 1/20 0.37
PAX8 Q06710 1/20 0.37
KDM4E B2RXH2 3/20 0.36
GPR3 P46089 1/20 0.36
KMT2A Q03164 1/20 0.34
BMP4 P12644 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL15033532 0.79 PDE10A (0.45) PDE10ARAB9ANPC1CYP3A4PAX8
SCHEMBL15038301 0.78 PDE10A (0.50) PDE10ARAB9ANPC1CYP3A4KDM4E
SCHEMBL15023646 0.76 PDE10A (0.64) PDE10ACYP3A4KMT2AMAPT
SCHEMBL15033460 0.72 PDE10A (0.55) PDE10ARAB9ANPC1CYP3A4PAX8
SCHEMBL12068221 0.70 PDE10A (0.74) PDE10ACYP3A4KDM4EMAPT
SCHEMBL15023842 0.68 PDE10A (0.44) PDE10ACYP3A4KDM4EMAPTLMNA
SCHEMBL15023843 0.68 PDE10A (0.44) PDE10ACYP3A4KDM4EMAPTLMNA
SCHEMBL1370432 0.67 MAPT (0.50) PDE10ACYP3A4KDM4EKMT2ABMP4
SCHEMBL30119859 0.67 MAPT (0.50) PDE10ACYP3A4KDM4EKMT2ABMP4
SCHEMBL15038300 0.67 PDE10A (0.63) PDE10ARAB9ANPC1CYP3A4KDM4E

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-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 (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-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN PDE10A 2086/4885RAB9A 957/4885NPC1 458/4885
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.