SCHEMBL30197879

SCHEMBL30197879

C(=N/Nc1cc(N/N=C/c2ccccn2)ncn1)\c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.60
KDM4E B2RXH2 10/20 0.56
HTT P42858 7/20 0.56
MAPT P10636 6/20 0.56
KMT2A Q03164 6/20 0.56
LMNA P02545 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
L3MBTL1 Q9Y468 5/20 0.56
TDP1 Q9NUW8 5/20 0.55
PKM P14618 4/20 0.55
MITF O75030 1/20 0.55
NPSR1 Q6W5P4 4/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 5/20 0.50
GAA P10253 5/20 0.50
NPC1 O15118 5/20 0.50
MEN1 O00255 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48

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
SCHEMBL8342118 0.84 PAX8 (0.65) PAX8KDM4EHTTMAPTKMT2A
SCHEMBL5051613 0.84 PAX8 (0.65) PAX8KDM4EHTTMAPTKMT2A
SCHEMBL29631623 0.84 PAX8 (0.65) PAX8KDM4EHTTMAPTKMT2A
SCHEMBL17560758 0.83 PAX8 (0.59) PAX8KDM4EHTTMAPTKMT2A
SCHEMBL17560762 0.83 PAX8 (0.59) PAX8KDM4EHTTMAPTKMT2A
SCHEMBL28952987 0.81 PAX8 (0.70) PAX8KDM4EHTTMAPTKMT2A
SCHEMBL28170008 0.79 PAX8 (0.58) PAX8KDM4EHTTMAPTKMT2A
SCHEMBL3079735 0.77 KDM4E (0.58) PAX8KDM4EHTTMAPTKMT2A
SCHEMBL6711432 0.77 KDM4E (0.58) PAX8KDM4EHTTMAPTKMT2A
SCHEMBL1164645 0.75 PAX8 (1.00) PAX8KDM4EHTTMAPTKMT2A

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-11566012-B2 Methods for treating protozoan infections NEOCULI PTY LTD (AU) 2023-01-31 US claimed

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-11566012-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS PAX8 4267/4885KDM4E 3521/4885HTT 2244/4885

“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.