SCHEMBL26085564

SCHEMBL26085564

Cc1cc2n(c1)CC(=O)C2

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
AGER Q15109 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL10904948 0.62
SCHEMBL14864851 0.58 PIM1 (0.38)
SCHEMBL5309964 0.58 ALDH1A1 (0.42) KDM4EMAPTHSD17B10
SCHEMBL12241443 0.58 ALDH1A1 (0.38) KDM4EMEN1MAPTALOX15CASP1
SCHEMBL25080172 0.57 MEN1 (0.46) KDM4EMEN1MAPTALOX15CASP1
SCHEMBL25080113 0.56 KDM4E (0.44) KDM4EMEN1MAPTALOX15CASP1
SCHEMBL15722726 0.53
SCHEMBL6584788 0.49 CYP1A2 (0.46) MAPT
SCHEMBL791613 0.49
Cyclopentanone SCHEMBL28313375 0.49 TRIM24 (0.59) MEN1KMT2A

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-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 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 (2 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-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 DRD3 4752/4885KDM4E 2079/4885MEN1 1972/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 DRD3 4752/4885KDM4E 2079/4885MEN1 1972/4885

“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.