SCHEMBL27025906

SCHEMBL27025906

Cn1c(-c2ccc(C3=CCN(/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C3)cc2F)nnc1-c1ccc(C2=CCN(/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.32
SOS1 Q07889 1/20 0.32
GRM5 P41594 5/20 0.31
GRM1 Q13255 5/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
NAMPT P43490 1/20 0.31
PRMT5 O14744 2/20 0.31
WDR77 Q9BQA1 2/20 0.31
WDR5 P61964 2/20 0.31
CYP17A1 P05093 1/20 0.30

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
SCHEMBL27025831 0.93 SOS1 (0.38) CDK9SOS1GRM5GRM1TLR7
SCHEMBL27007926 0.91 SOS1 (0.38) CDK9SOS1GRM5GRM1TLR7
SCHEMBL30745991 0.90 SOS1 (0.37) CDK9SOS1GRM5GRM1TLR7
SCHEMBL27007644 0.90 SOS1 (0.37) CDK9SOS1GRM5GRM1TLR7
SCHEMBL27007695 0.88 CDK9 (0.36) CDK9SOS1GRM5GRM1TLR7
SCHEMBL27025875 0.87 CDK9 (0.37) CDK9SOS1GRM5GRM1TLR7
SCHEMBL27025909 0.87 NAMPT (0.36) SOS1GRM5GRM1NAMPT
SCHEMBL27025972 0.84 TLR7 (0.38) CDK9SOS1GRM5GRM1TLR7
SCHEMBL27025886 0.84 NAMPT (0.39) CDK9SOS1GRM5GRM1NAMPT
SCHEMBL27025881 0.83 CDK9 (0.37) CDK9GRM5GRM1NAMPTWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 US disclosed
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 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-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE ERG28, CYP51A1, MANBA CDK9 872/4885SOS1 4010/4885GRM5 3764/4885

“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.