SCHEMBL19626327

SCHEMBL19626327

Cc1nc2nc(C)c(C)nc2s1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE10A Q9Y233 1/20 0.34
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL17339855 0.86 HSD17B10 (0.35) NPC1ALDH1A1TP53MAPTPKM
SCHEMBL20489514 0.75 ALDH1A1 (0.38) ALDH1A1HPGD
SCHEMBL178967 0.70 HSD17B10 (0.39) PDE2APDE4DPDE3APDE10ANPC1
SCHEMBL14970054 0.67 HSD17B10 (0.33) NPC1ALDH1A1TP53MAPTPKM
SCHEMBL8342708 0.67 HSD17B10 (0.31) NPC1ALDH1A1TP53MAPTPKM
SCHEMBL12340091 0.65 KDM4E (0.37) ALDH1A1
SCHEMBL2607126 0.65 HSD17B10 (0.36) NPC1ALDH1A1TP53MAPTPKM
SCHEMBL814058 0.65 HSD17B10 (0.33) NPC1ALDH1A1TP53MAPTPKM
SCHEMBL7990997 0.64 USP2 (0.32) HSD17B10
SCHEMBL23480226 0.62 GAA (0.52) PDE2APDE4DPDE3APDE10ANPC1

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
WO-2023109942-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 WO disclosed
WO-2021113679-A1 DIMERIC COMPOUNDS AS STING AGONISTS MERSANA THERAPEUTICS, INC. (US) 2021-06-10 WO disclosed
US-20180099921-A1 MIXTURE OF POLYMERIZABLE COMPOUND AND METHOD OF PRODUCING THE SAME ZEON CORPORATION (JP) 2018-04-12 US disclosed
US-20170335193-A1 POLYMERIZABLE COMPOUND, MIXTURE, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, FLAT PANEL DISPLAY DEVICE, ORGANIC ELECTROLUMINESCENCE DISPLAY DEVICE, AND ANTI-REFLECTION FILM ZEON CORPORATION (JP) 2017-11-23 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-20180099921-A1 MIXTURE OF POLYMERIZABLE COMPOUND AND METHOD OF PRODUCING THE SAME DDT, CA4, DNMT3B PDE2A 1067/4885PDE4D 466/4885PDE3A 1005/4885
US-20170335193-A1 POLYMERIZABLE COMPOUND, MIXTURE, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, FLAT PANEL DISPLAY DEVICE, ORGANIC ELECTROLUMINESCENCE DISPLAY DEVICE, AND ANTI-REFLECTION FILM NR2E3, NR3C2, NR2C2 PDE2A 4244/4885PDE4D 4148/4885PDE3A 4291/4885

“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.