SCHEMBL23830320

SCHEMBL23830320

CCOC(=O)c1nn(Cc2ncnc(OC)c2C)c2nc(C)cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
PDE6D O43924 5/20 0.39
PDE6A P16499 5/20 0.39
PDE6G P18545 5/20 0.39
PDE6B P35913 5/20 0.39
PDE6C P51160 5/20 0.39
PDE6H Q13956 5/20 0.39
CCR4 P51679 1/20 0.38
KDM5B Q9UGL1 1/20 0.34
MAPT P10636 3/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RAB9A P51151 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CSNK1D P48730 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 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
SCHEMBL23830332 0.91 HSD17B10 (0.40) HSD17B10PDE6DPDE6APDE6GPDE6B
SCHEMBL23830420 0.90 HSD17B10 (0.39) HSD17B10PDE6DPDE6APDE6GPDE6B
SCHEMBL23830414 0.89 PDE6D (0.41) HSD17B10PDE6DPDE6APDE6GPDE6B
SCHEMBL23830385 0.82 PDE6D (0.52) HSD17B10PDE6DPDE6APDE6GPDE6B
SCHEMBL23830398 0.81 PDE6D (0.41) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL23830389 0.80 PDE6D (0.42) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL23830392 0.80 PDE6D (0.40) HSD17B10PDE6DPDE6APDE6GPDE6B
SCHEMBL23830386 0.76 RORC (0.34) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL23830352 0.75 PDE6D (0.44) HSD17B10PDE6DPDE6APDE6GPDE6B
SCHEMBL23830291 0.70 HSD17B10 (0.56) HSD17B10KDM5BMAPTNPC1HSP90AA1

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-20210292333-A1 CONDENSED AZAHETEROARYL COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY AGAINST TUBERCULOSIS BACTERIA CADILA HEALTHCARE LIMITED (IN) 2021-09-23 US disclosed
CN-112543757-A Condensed azaheteroaryl compounds having antibacterial activity against tubercle bacillus 卡迪拉保健有限公司 2021-03-23 CN 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-20210292333-A1 CONDENSED AZAHETEROARYL COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY AGAINST TUBERCULOSIS BACTERIA DPEP1, SAT1, PEPD HSD17B10 1210/4885PDE6D 3804/4885PDE6A 1704/4885

“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.