Sugi Predict

Sugi Predict / Compounds / SCHEMBL17023882

SCHEMBL17023882

SCHEMBL17023882

c1cnc(-c2nc(-c3ccc(-c4nc(-c5ncccn5)n5ccccc45)s3)c3ccccn23)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 6/20 0.47
▸ EPAS1 Q99814 6/20 0.47
▸ MAP2K3 P46734 2/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ GAA P10253 6/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPT P10636 6/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ GLA P06280 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ TP53 P04637 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PKLR P30613 1/20 0.35
▸ RAD51 Q06609 1/20 0.34

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
SCHEMBL17023897 0.85 KDM4E (0.50) HIF1AEPAS1MAP2K3MAPK14GAA
SCHEMBL17023884 0.84 GAA (0.43) HIF1AEPAS1MAP2K3MAPK14GAA
SCHEMBL17023900 0.83 KMT2A (0.52) HIF1AEPAS1MAP2K3GAAKMT2A
SCHEMBL17023876 0.81 KMT2A (0.48) HIF1AEPAS1MAP2K3GAAKMT2A
SCHEMBL17023893 0.81 HIF1A (0.59) HIF1AEPAS1MAP2K3MAPK14GAA
SCHEMBL17023902 0.80 GAA (0.40) HIF1AEPAS1MAP2K3GAAKMT2A
SCHEMBL17023892 0.79 KMT2A (0.49) HIF1AEPAS1MAP2K3GAAKMT2A
SCHEMBL17023875 0.75 KMT2A (0.40) HIF1AEPAS1GAAKMT2APOLB
SCHEMBL17023889 0.74 ALDH1A1 (0.38) HIF1AEPAS1GAAKMT2APOLB
SCHEMBL17023873 0.74 KMT2A (0.42) HIF1AEPAS1MAP2K3GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10847726-B2 Imidizo derivatives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2020-11-24 — — US disclosed
US-10847726-B2 Imidizo derivatives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2020-11-24 — — US disclosed
US-20190131538-A1 IMIDIZO DERIVATIVES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2019-05-02 — — US disclosed
US-20190131538-A1 IMIDIZO DERIVATIVES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2019-05-02 — — US disclosed
US-20150243896-A1 IMIDAZO DERIVATIVES ARMY, THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2015-08-27 — — US disclosed
US-20150243896-A1 IMIDAZO DERIVATIVES ARMY, THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2015-08-27 — — US disclosed
US-20150243896-A1 IMIDAZO DERIVATIVES ARMY, THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2015-08-27 — — 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-20190131538-A1 IMIDIZO DERIVATIVES IKZF1, IKZF3, IKZF2 HIF1A 4237/4885EPAS1 2959/4885MAP2K3 69/4885
US-10847726-B2 Imidizo derivatives IKZF1, IKZF3, IKZF2 HIF1A 4237/4885EPAS1 2959/4885MAP2K3 69/4885

“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.