SCHEMBL2813987

SCHEMBL2813987

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 1/20 0.37
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL2813984 1.00 SLC11A2 (0.37) SLC11A2PGK1PGK2MEN1KMT2A
SCHEMBL2816363 0.79 PGK1 (0.32) PGK1PGK2
SCHEMBL2816365 0.79 PGK1 (0.32) PGK1PGK2
SCHEMBL13130266 0.79 PGK1 (0.32) PGK1PGK2
SCHEMBL2814521 0.78 SMN1; SMN2 (0.32) SLC11A2PGK1PGK2ALDH1A1
SCHEMBL13994531 0.72 SLC11A2 (0.33) SLC11A2
SCHEMBL2807981 0.72 SLC11A2 (0.52) SLC11A2PGK1PGK2
SCHEMBL13130253 0.70
SCHEMBL2816366 0.70 SLC11A2 (0.36) SLC11A2PGK1PGK2MEN1KMT2A
SCHEMBL10455929 0.68 GRIN2D (0.59) MEN1KMT2AALDH1A1LMNA

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 1 patent. 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 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 175/4885PGK1 1732/4885PGK2 1971/4885

“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.