SCHEMBL24313347

SCHEMBL24313347

Oc1cccc(-c2nc3ccc(-c4nc5ccc(C6=NCCCN6)cc5[nH]4)cc3[nH]2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.48
GAA P10253 3/20 0.45
TSHR P16473 1/20 0.45
NISCH Q9Y2I1 1/20 0.45
CHEK1 O14757 1/20 0.43
PRKD3 O94806 1/20 0.43
PAK4 O96013 1/20 0.43
PDGFRA P16234 1/20 0.43
LTK P29376 1/20 0.43
MAP2K2 P36507 1/20 0.43
MAPK8 P45983 1/20 0.43
CDK8 P49336 1/20 0.43
RPS6KA3 P51812 1/20 0.43
PRKX P51817 1/20 0.43
NEK2 P51955 1/20 0.43
LIMK1 P53667 1/20 0.43
CDK5 Q00535 1/20 0.43
PRKCQ Q04759 1/20 0.43
MAP4K2 Q12851 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL29558757 0.97 SCD (0.47) SCDGAATSHRNISCHCHEK1
SCHEMBL24312904 0.97 SCD (0.47) SCDGAATSHRNISCHCHEK1
SCHEMBL24312987 0.88 GAA (0.56) SCDGAATSHRNISCHMEN1
SCHEMBL8164925 0.83 GAA (0.50) GAATSHRNISCHMEN1POLB
SCHEMBL548421 0.83 GAA (0.50) GAATSHRNISCHMEN1POLB
SCHEMBL21900562 0.82 MEN1 (0.59) GAATSHRNISCHMEN1POLB
SCHEMBL21856214 0.81 MEN1 (0.48) GAATSHRNISCHMEN1POLB
SCHEMBL24313017 0.81 ALOX5 (0.48) GAAMEN1KMT2AGUSBMGAM
SCHEMBL20184770 0.79 PRMT1 (0.53) GAANISCHMEN1POLBKMT2A
SCHEMBL14669392 0.79 PRMT1 (0.53) GAANISCHMEN1POLBKMT2A

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-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-03-31 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-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS PKD2, PKD1, MUC1 SCD 4702/4885GAA 1110/4885TSHR 3947/4885

“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.