SCHEMBL2807981

SCHEMBL2807981

Cc1cc(C)c(CNC(=N)N)c(C)c1CNC(=N)N

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 1/20 0.52
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
MAPT P10636 1/20 0.33
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
KLKB1 P03952 1/20 0.30
C1S P09871 1/20 0.30

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
SCHEMBL2808016 0.80 SLC11A2 (0.43) SLC11A2HTR1DHTR1BPGK1PGK2
SCHEMBL13167046 0.78 SLC11A2 (0.42) SLC11A2HTR1DHTR1BPGK1PGK2
Hydrochloric Acid SCHEMBL2810101 0.78 SLC11A2 (0.42) SLC11A2HTR1DHTR1BPGK1PGK2
SCHEMBL12970487 0.74 PRSS1 (0.38) SLC11A2HTR1DHTR1BMAPTPRSS1
SCHEMBL2813984 0.72 SLC11A2 (0.37) SLC11A2PGK1PGK2
SCHEMBL2813987 0.72 SLC11A2 (0.37) SLC11A2PGK1PGK2
SCHEMBL7844262 0.71 CD44 (0.39)
SCHEMBL13756241 0.69 PRSS1 (0.33) PRSS1PRSS2PRSS3C1S
SCHEMBL29275372 0.69 ALDH1A1 (0.43) PGK1PGK2MAPT
SCHEMBL20852511 0.69 PRSS1 (0.46) PRSS1PRSS2PRSS3KLKB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US claimed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US disclosed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US disclosed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US disclosed
WO-2008151288-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-12-11 WO 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-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS SLC40A1, PAH, FECH SLC11A2 175/4885HTR1D 1747/4885HTR1B 1445/4885

“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.