SCHEMBL26032241

SCHEMBL26032241

Cc1nc(CN2CCN(C)CC2)nc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN1 P18031 1/20 0.43
MC4R P32245 1/20 0.41
LMNA P02545 3/20 0.39
CHKA P35790 2/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 4/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HPGD P15428 1/20 0.36
CA2 P00918 1/20 0.35
NCF1 P14598 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL26032247 0.85 GAA (0.43) GAASMN1; SMN2PTPN1MC4RLMNA
SCHEMBL26043540 0.83 LMNA (0.49) GAALMNAALDH1A1KDM4EHTT
SCHEMBL16479758 0.82 GAA (0.41) GAASMN1; SMN2PTPN1MC4RLMNA
SCHEMBL23808976 0.82 ALDH1A1 (0.41) GAASMN1; SMN2PTPN1MC4RLMNA
SCHEMBL26038075 0.80 LMNA (0.40) GAASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL26580974 0.78 CXCR4 (0.42) PTPN1LMNAALDH1A1KDM4EHTT
SCHEMBL18390913 0.78 GAA (0.47) GAASMN1; SMN2PTPN1MC4RLMNA
SCHEMBL26032253 0.78 CXCR4 (0.46) GAASMN1; SMN2PTPN1LMNAALDH1A1
SCHEMBL26038023 0.77 HRH3 (0.49) LMNAALDH1A1TDP1ATMMAPT
SCHEMBL8259466 0.76 AURKA (0.40) GAASMN1; SMN2PTPN1MC4RLMNA

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-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
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 EP 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 GAA 3420/4885SMN1; SMN2 1682/4885PTPN1 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.