SCHEMBL26580974

SCHEMBL26580974

Cc1nc(CN2CCNCC2)nc(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 9/20 0.42
LMNA P02545 2/20 0.42
PTPN1 P18031 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2C P18825 1/20 0.37
CCR2 P41597 1/20 0.37
CXCL12 P48061 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL23809108 0.82 CXCR4 (0.39) CXCR4LMNAPTPN1SIGMAR1MEN1
SCHEMBL26043540 0.82 LMNA (0.49) LMNASIGMAR1ALDH1A1KDM4EHTT
SCHEMBL22642327 0.79 CXCR4 (0.45) CXCR4LMNAPTPN1SIGMAR1MEN1
SCHEMBL26032241 0.78 GAA (0.44) LMNAPTPN1TDP1ALDH1A1KDM4E
SCHEMBL26032253 0.77 CXCR4 (0.46) CXCR4LMNAPTPN1MEN1KMT2A
SCHEMBL15219278 0.77 CXCR4 (0.40) CXCR4LMNAPTPN1SIGMAR1MEN1
Hydrochloric Acid SCHEMBL17092836 0.75 LMNA (0.41) CXCR4LMNAPTPN1SIGMAR1CHRM2
SCHEMBL30655795 0.74 LMNA (0.43) CXCR4LMNAPTPN1SIGMAR1MEN1
SCHEMBL27568633 0.74 LMNA (0.43) CXCR4LMNAPTPN1SIGMAR1MEN1
SCHEMBL3954742 0.73 CHRM2 (0.45) CXCR4LMNAPTPN1SIGMAR1MEN1

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-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 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-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 CXCR4 3313/4885LMNA 3021/4885PTPN1 1236/4885

“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.