SCHEMBL30746007

SCHEMBL30746007

Cn1c(-c2ccc(C3=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC3)cc2)nnc1-c1ccc(C2=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC2)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 3/20 0.41
NAMPT P43490 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
SCN9A Q15858 3/20 0.33
GRM5 P41594 3/20 0.33
GRM1 Q13255 3/20 0.33
CDK9 P50750 2/20 0.33
SCN5A Q14524 2/20 0.33
WDR5 P61964 1/20 0.33
JAK1 P23458 1/20 0.33
PDK4 Q16654 1/20 0.33
CDK7 P50613 1/20 0.33
CDK13 Q14004 1/20 0.33
CDK12 Q9NYV4 1/20 0.33

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
SCHEMBL27007875 0.98 SOS1 (0.40) SOS1NAMPTTRPV1MMP2MMP3
SCHEMBL27025892 0.90 NAMPT (0.37) SOS1NAMPTMMP2MMP3PRMT5
SCHEMBL27007946 0.90 SOS1 (0.38) SOS1NAMPTTRPV1MMP2MMP3
SCHEMBL27007723 0.90 SOS1 (0.35) SOS1TRPV1MMP2MMP3WDR5
SCHEMBL27025807 0.89 NAMPT (0.43) SOS1NAMPTGRM5GRM1PDK4
SCHEMBL27025875 0.89 CDK9 (0.37) SOS1NAMPTPRMT5WDR77GRM5
SCHEMBL27007901 0.89 NAMPT (0.38) SOS1NAMPTMMP2MMP3PRMT5
SCHEMBL27025883 0.89 NAMPT (0.38) SOS1NAMPTMMP2MMP3PRMT5
SCHEMBL30745991 0.88 SOS1 (0.37) SOS1NAMPTMMP2MMP3PRMT5
SCHEMBL27007644 0.88 SOS1 (0.37) SOS1NAMPTMMP2MMP3PRMT5

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 4010/4885NAMPT 639/4885TRPV1 4745/4885

“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.