SCHEMBL22988950

SCHEMBL22988950

c1ccc(-c2cccc(-c3nc4ccccc4nc3-n3c4ccc5cccc6sc7cccc8ccc3c(c87)c4c56)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.36
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIK3CA P42336 1/20 0.32
PI4KA P42356 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 3/20 0.31
HTT P42858 1/20 0.31
NFKB1 P19838 2/20 0.31
RAB9A P51151 2/20 0.31
NFKB2 Q00653 2/20 0.31
RELA Q04206 2/20 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
SCHEMBL22988949 0.93 CASP1 (0.39) PDE10ACASP1HSD17B10HRH4MEN1
SCHEMBL22988940 0.93 CASP1 (0.40) PDE10ACASP1HSD17B10HRH4MAPT
SCHEMBL23030496 0.92 PDE10A (0.33) PDE10ACASP1HSD17B10HRH4MAPT
SCHEMBL22989263 0.89 PDE10A (0.35) PDE10AMAPTMEN1KMT2AMAPK1
SCHEMBL23030662 0.86 SMN1; SMN2 (0.34) PDE10AMAPK1L3MBTL1PIK3CAPI4KA
SCHEMBL22988945 0.86 KDM4E (0.33) PDE10ACASP1HSD17B10HRH4MAPT
SCHEMBL24245683 0.86 PDE10A (0.37) PDE10ACASP1HSD17B10HRH4MEN1
SCHEMBL22988944 0.85 PDE10A (0.31) PDE10A
SCHEMBL23031029 0.85 CASP1 (0.35) CASP1HSD17B10HRH4MEN1KMT2A
SCHEMBL22989112 0.85 CASP1 (0.38) PDE10ACASP1HSD17B10HRH4MEN1

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
WO-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed
US-20160340361-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 AUSPEX PHARMACEUTICALS, INC. 2016-11-24 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 (1 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-20160340361-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 JAK2, JAK3, PAK3 PDE10A 2304/4885CASP1 1422/4885HSD17B10 3604/4885

“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.