SCHEMBL27007809

SCHEMBL27007809

Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ccc1-n1cc(-c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)nn1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 14/20 0.72
GRM5 P41594 12/20 0.72
NAMPT P43490 1/20 0.46
SOS1 Q07889 1/20 0.43
PDK4 Q16654 1/20 0.43
CDK7 P50613 1/20 0.42
CDK13 Q14004 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
WNT3A P56704 1/20 0.42
LIPC P11150 1/20 0.42
LIPG Q9Y5X9 1/20 0.42

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
SCHEMBL30746011 1.00 GRM1 (0.72) GRM1GRM5NAMPTSOS1PDK4
SCHEMBL27007916 0.96 GRM1 (0.67) GRM1GRM5NAMPTSOS1PDK4
SCHEMBL27007743 0.86 GRM1 (0.78) GRM1GRM5NAMPTPDK4
SCHEMBL30746004 0.85 GRM1 (0.68) GRM1GRM5NAMPTSOS1PDK4
SCHEMBL27007877 0.85 GRM1 (0.68) GRM1GRM5NAMPTSOS1PDK4
SCHEMBL30745993 0.84 GRM1 (0.67) GRM1GRM5NAMPTPDK4
SCHEMBL27007835 0.84 GRM1 (0.67) GRM1GRM5NAMPTPDK4
SCHEMBL27025918 0.84 GRM1 (0.64) GRM1GRM5NAMPTPDK4CDK7
SCHEMBL27025917 0.84 GRM1 (0.52) GRM1GRM5NAMPTSOS1WNT3A
SCHEMBL2890770 0.83 GRM1 (1.00) GRM1GRM5NAMPTPDK4

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 3 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
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 3764/4885NAMPT 639/4885

“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.