SCHEMBL24123124

SCHEMBL24123124

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1C#Cc1cnc2cccnn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 1.00
ABL2 P42684 2/20 0.77
KCNH2 Q12809 7/20 0.74
CYP3A4 P08684 6/20 0.74
DDR2 Q16832 3/20 0.74
BCR P11274 2/20 0.74
FGFR1 P11362 2/20 0.74
FGFR2 P21802 2/20 0.74
FGFR4 P22455 2/20 0.74
FGFR3 P22607 2/20 0.74
DDR1 Q08345 2/20 0.74
LCK P06239 2/20 0.74
SRC P12931 2/20 0.74
PDGFRA P16234 2/20 0.74
EPHB2 P29323 2/20 0.74
EPHB3 P54753 2/20 0.74
EPHB4 P54760 2/20 0.74
GAK O14976 1/20 0.74
MLNR O43193 1/20 0.74
RIPK2 O43353 1/20 0.74

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
SCHEMBL30011304 0.95 ABL1 (1.00) ABL1ABL2KCNH2CYP3A4DDR2
SCHEMBL24122640 0.95 ABL1 (1.00) ABL1ABL2KCNH2CYP3A4DDR2
SCHEMBL21367370 0.91 ABL1 (0.85) ABL1ABL2KCNH2CYP3A4DDR2
SCHEMBL13194694 0.89 ABL1 (0.88) ABL1ABL2KCNH2CYP3A4DDR2
SCHEMBL12989619 0.89 ABL1 (1.00) ABL1ABL2KCNH2CYP3A4DDR2
SCHEMBL589689 0.89 ABL1 (1.00) ABL1ABL2KCNH2CYP3A4DDR2
SCHEMBL16644576 0.88 ABL1 (0.82) ABL1ABL2KCNH2CYP3A4DDR2
SCHEMBL15242137 0.88 ABL1 (0.85) ABL1ABL2KCNH2CYP3A4DDR2
SCHEMBL591027 0.87 ABL1 (1.00) ABL1ABL2KCNH2CYP3A4DDR2
SCHEMBL15473029 0.87 ABL1 (0.83) ABL1ABL2KCNH2CYP3A4DDR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199626-A1 COMPOUNDS WITH IMPROVED CARDIAC SAFETY FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-06-20 US disclosed
EP-4326269-A1 COMPOUNDS WITH IMPROVED CARDIAC SAFETY FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS Oregon Health & Science University (US) 2024-02-28 EP disclosed
WO-2022225972-A1 COMPOUNDS WITH IMPROVED CARDIAC SAFETY FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2022-10-27 WO disclosed
US-20210393628-A1 COMPOSITIONS AND METHODS FOR MODULATING T CELL EXHAUSTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2021-12-23 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-20240199626-A1 COMPOUNDS WITH IMPROVED CARDIAC SAFETY FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS SMN1; SMN2, MCL1, NLN ABL1 76/4885ABL2 424/4885KCNH2 2222/4885
US-20210393628-A1 COMPOSITIONS AND METHODS FOR MODULATING T CELL EXHAUSTION CD4, ICOS, NFATC1 ABL1 237/4885ABL2 620/4885KCNH2 2251/4885

“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.