SCHEMBL25910068

SCHEMBL25910068

CC(C)(C)c1cnc(CC(C)(C)c2ccnnc2)nc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL179254 0.75 KIF11 (0.39) RAB9A
SCHEMBL25768087 0.74 ALDH1A1 (0.30) KDM4ERAB9A
SCHEMBL21287844 0.73 KIF11 (0.32) POLB
SCHEMBL22328432 0.72 NPC1 (0.36) RAB9A
SCHEMBL19750612 0.72 ALDH1A1 (0.39) KDM4EPOLBRAB9A
SCHEMBL11922167 0.72 RAB9A (0.34) KDM4EPOLBRAB9A
SCHEMBL18909931 0.71 CYP19A1 (0.36) POLB
SCHEMBL15885025 0.71 CCNA2 (0.36)
SCHEMBL20418258 0.70 CYP19A1 (0.35) KDM4EPOLBRAB9A
SCHEMBL19115699 0.70 MAPT (0.35) KDM4EPOLBRAB9A

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-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists SAIL BIOMEDICINES, INC. 2023-07-27 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-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists AHR, ARNT, AIPL1 KDM4E 1678/4885POLB 3733/4885RAB9A 3800/4885

“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.