SCHEMBL27025944

SCHEMBL27025944

CC(C)(C)OC(=O)N1CC=C(c2ccc(-c3nnc(-c4ccc(C5=CCN(C(=O)OC(C)(C)C)CC5)cc4F)o3)c(F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.51
GRM5 P41594 10/20 0.51
ATR Q13535 2/20 0.51
NAMPT P43490 1/20 0.48
PDK4 Q16654 1/20 0.47
TLR7 Q9NYK1 1/20 0.46
SOS1 Q07889 1/20 0.45
CDK7 P50613 1/20 0.44
CDK13 Q14004 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
CDK9 P50750 1/20 0.44

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
SCHEMBL27007742 0.98 GRM1 (0.52) GRM1GRM5ATRNAMPTPDK4
SCHEMBL27007840 0.94 GRM1 (0.49) GRM1GRM5ATRNAMPTPDK4
SCHEMBL30745984 0.93 CDK9 (0.48) GRM1GRM5ATRNAMPTPDK4
SCHEMBL27007939 0.93 CDK9 (0.48) GRM1GRM5ATRNAMPTPDK4
SCHEMBL27025947 0.92 GRM1 (0.53) GRM1GRM5ATRNAMPTPDK4
SCHEMBL27007897 0.90 CDK9 (0.46) GRM1GRM5ATRNAMPTPDK4
SCHEMBL27007998 0.87 GRM1 (0.51) GRM1GRM5ATRNAMPTPDK4
SCHEMBL27007867 0.87 SOS1 (0.50) GRM1GRM5ATRNAMPTPDK4
SCHEMBL1200092 0.87 GRM1 (0.50) GRM1GRM5ATRNAMPTPDK4
SCHEMBL27025939 0.86 NAMPT (0.49) GRM1GRM5ATRNAMPTPDK4

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 GRM1 2602/4885GRM5 3764/4885ATR 3265/4885

“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.