SCHEMBL19852599

SCHEMBL19852599

O=c1[nH]nc(-c2ccncc2)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.67
GRIA1 P42261 2/20 0.46
GRIA2 P42262 2/20 0.46
GRIA3 P42263 2/20 0.46
GRIA4 P48058 2/20 0.46
MAPK14 Q16539 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
GSK3B P49841 1/20 0.42
LMNA P02545 1/20 0.42
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40

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
SCHEMBL7511341 0.78 HDAC8 (0.47) BTKGRIA1GRIA2GRIA3GRIA4
SCHEMBL5914302 0.77 BTK (0.64) BTKKDM4E
SCHEMBL18011448 0.77 BTK (0.64) BTKMAPTALDH1A1HPGDHSD17B10
SCHEMBL8286179 0.77 BTK (0.64) BTKLMNA
SCHEMBL10000033 0.69 LMNA (0.53) MAPK14MAPTALDH1A1HPGDHSD17B10
SCHEMBL7454459 0.68 PDE3B (0.50) GRIA1GRIA2GRIA3GRIA4PDE3B
SCHEMBL5253432 0.67 BTK (0.61) BTKMAPTALDH1A1HPGDHSD17B10
SCHEMBL8268404 0.67 BTK (0.61) BTKIDO1
SCHEMBL14001910 0.67 BTK (0.61) BTKPDE3BPDE3AMAPTALDH1A1
SCHEMBL31546329 0.67 ALOX5 (0.61) PDE3BPDE3AMAPTALDH1A1HPGD

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 2 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

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-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS PDE10A, PDE2A, PDE3A BTK 808/4885GRIA1 1685/4885GRIA2 1844/4885
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors PDE4A, PDE2A, PDE9A BTK 1497/4885GRIA1 1275/4885GRIA2 1474/4885

“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.