SCHEMBL30745989

SCHEMBL30745989

Cn1c(-c2ccc(C3=CCN(C(=O)OC(C)(C)C)C3)cc2)nnc1-c1ccc(C2=CCN(C(=O)OC(C)(C)C)C2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.42
WDR5 P61964 2/20 0.40
PDK4 Q16654 1/20 0.39
GRM1 Q13255 8/20 0.39
GRM5 P41594 7/20 0.39
NAMPT P43490 1/20 0.38
ELANE P08246 2/20 0.38
HSD11B1 P28845 3/20 0.37
CDK9 P50750 2/20 0.36

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
SCHEMBL27007919 1.00 SOS1 (0.42) SOS1WDR5PDK4GRM1GRM5
SCHEMBL27007900 0.96 SOS1 (0.40) SOS1WDR5PDK4GRM1GRM5
SCHEMBL27007833 0.90 SOS1 (0.50) SOS1WDR5PDK4GRM1GRM5
SCHEMBL27025908 0.87 NAMPT (0.47) SOS1PDK4GRM1GRM5NAMPT
SCHEMBL27007927 0.87 SOS1 (0.48) SOS1WDR5PDK4GRM1GRM5
SCHEMBL27007723 0.83 SOS1 (0.35) SOS1WDR5HSD11B1
SCHEMBL27007572 0.82 HSD11B1 (0.39) HSD11B1
SCHEMBL27025905 0.81 GRM1 (0.41) SOS1WDR5PDK4GRM1GRM5
SCHEMBL27025890 0.79 GRM1 (0.51) PDK4GRM1GRM5NAMPT
SCHEMBL34465791 0.79 NR1H2 (0.47) SOS1WDR5PDK4GRM1GRM5

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-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 SOS1 4010/4885WDR5 2039/4885PDK4 2248/4885

“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.