SCHEMBL22988940

SCHEMBL22988940

c1ccc(-c2nc3ccccc3nc2-n2c3ccc4cccc5sc6cccc7ccc2c(c76)c3c45)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 5/20 0.35
LMNA P02545 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
PDE10A Q9Y233 4/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL22988949 0.97 CASP1 (0.39) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL22988950 0.93 PDE10A (0.36) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL24245522 0.91 HSD17B10 (0.41) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL23031028 0.91 CASP1 (0.36) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL22988945 0.90 KDM4E (0.33) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL23031029 0.90 CASP1 (0.35) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL22989263 0.89 PDE10A (0.35) KDM4EALDH1A1PKML3MBTL1LMNA
SCHEMBL24245804 0.86 HSD17B10 (0.48) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL22988944 0.85 PDE10A (0.31) PDE10A
SCHEMBL23874687 0.84 HSD17B10 (0.36) CASP1HSD17B10HRH4KDM4EALDH1A1

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 CASP1 1422/4885HSD17B10 3604/4885HRH4 1478/4885

“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.