SCHEMBL9560123

SCHEMBL9560123

c1cnc2nc(-c3ccncc3)cn2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.78
KDM4E B2RXH2 13/20 0.78
HPGD P15428 7/20 0.78
GLA P06280 7/20 0.78
HSD17B10 Q99714 3/20 0.78
RAB9A P51151 12/20 0.71
GAA P10253 9/20 0.71
NPC1 O15118 9/20 0.71
SMN1; SMN2 Q16637 6/20 0.71
MAPT P10636 4/20 0.71
KMT2A Q03164 3/20 0.71
MEN1 O00255 2/20 0.71
TP53 P04637 1/20 0.71
POLB P06746 2/20 0.66
GFER P55789 2/20 0.61
CYP1A2 P05177 1/20 0.58
CDC7 O00311 1/20 0.55
DAPK3 O43293 1/20 0.55
DYRK3 O43781 1/20 0.55
ROCK2 O75116 1/20 0.55

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
SCHEMBL3671367 0.88 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL5305847 0.85 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL1494735 0.83 RAB9A (1.00) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL17626882 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL14646388 0.83 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL8010439 0.83 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL1692157 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL971743 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL12970202 0.83 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL9298339 0.83 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDGLAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704105-B9 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2025-03-05 EP disclosed
EP-3704105-B1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2024-10-16 EP disclosed
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2022-11-24 US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 US disclosed
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2021-06-03 US disclosed
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2021-06-03 US disclosed
EP-0462986-B1 IMIDAZOPYRIMIDINE ANTIALLERGY AGENTS Pfizer Limited (GB) 1993-10-06 EP 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 (3 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-11345694-B2 Antibacterial compounds CFTR, MRPL21, NQO1 ALDH1A1 1908/4885KDM4E 4533/4885HPGD 305/4885
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NRDC, PGLS ALDH1A1 3982/4885KDM4E 3363/4885HPGD 1410/4885
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS CFTR, MRPL21, NQO1 ALDH1A1 1908/4885KDM4E 4533/4885HPGD 305/4885

“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.