SCHEMBL27007644

SCHEMBL27007644

Cn1c(-c2ccc(C3=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC3)c(F)c2)nnc1-c1ccc(C2=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.37
NAMPT P43490 1/20 0.36
CDK9 P50750 3/20 0.35
TLR7 Q9NYK1 1/20 0.35
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
GRM5 P41594 6/20 0.35
GRM1 Q13255 6/20 0.35
JAK1 P23458 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
PDK4 Q16654 1/20 0.33
EED O75530 1/20 0.33
RBBP4 Q09028 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
CDK7 P50613 1/20 0.33
CDK13 Q14004 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
CCNT1 O60563 1/20 0.32

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
SCHEMBL30745991 1.00 SOS1 (0.37) SOS1NAMPTCDK9TLR7PRMT5
SCHEMBL27007926 0.97 SOS1 (0.38) SOS1NAMPTCDK9TLR7PRMT5
SCHEMBL27025831 0.97 SOS1 (0.38) SOS1NAMPTCDK9TLR7PRMT5
SCHEMBL27025875 0.97 CDK9 (0.37) SOS1NAMPTCDK9TLR7PRMT5
SCHEMBL27007695 0.94 CDK9 (0.36) SOS1NAMPTCDK9TLR7PRMT5
SCHEMBL27025906 0.90 CDK9 (0.32) SOS1NAMPTCDK9TLR7PRMT5
SCHEMBL27007901 0.89 NAMPT (0.38) SOS1NAMPTCDK9PRMT5WDR77
SCHEMBL27025883 0.89 NAMPT (0.38) SOS1NAMPTCDK9PRMT5WDR77
SCHEMBL27025892 0.89 NAMPT (0.37) SOS1NAMPTCDK9PRMT5WDR77
SCHEMBL27025886 0.89 NAMPT (0.39) SOS1NAMPTCDK9PRMT5WDR77

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 SOS1 4010/4885NAMPT 639/4885CDK9 872/4885

“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.