SCHEMBL24312904

SCHEMBL24312904

Oc1cccc(-c2nc3ccc(-c4nc5ccc(C6=NCCCCN6)cc5[nH]4)cc3[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.47
JAK2 O60674 1/20 0.43
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
JAK1 P23458 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
TYK2 P29597 1/20 0.43
CCND3 P30281 1/20 0.43
JAK3 P52333 1/20 0.43
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

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 1.00 SCD (0.47) SCDJAK2CDK4CCNA2JAK1
SCHEMBL24313347 0.97 SCD (0.48) SCDJAK2CDK4CCNA2JAK1
SCHEMBL24312987 0.85 GAA (0.56) SCDGAAMEN1USP2POLB
SCHEMBL24312986 0.81 ALOX5 (0.47) GAAMEN1POLBKMT2AGUSB
SCHEMBL29557824 0.81 ALOX5 (0.47) GAAMEN1POLBKMT2AGUSB
SCHEMBL8164925 0.80 GAA (0.50) GAAMEN1POLBBLMKMT2A
SCHEMBL548421 0.80 GAA (0.50) GAAMEN1POLBBLMKMT2A
SCHEMBL21900562 0.79 MEN1 (0.59) GAAMEN1USP2POLBBLM
SCHEMBL21856214 0.78 MEN1 (0.48) GAAMEN1USP2POLBBLM
SCHEMBL20184770 0.78 PRMT1 (0.53) GAAMEN1USP2POLBBLM

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 4702/4885JAK2 1373/4885CDK4 1730/4885

“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.