SCHEMBL24122640

SCHEMBL24122640

Cc1ccc(C(=O)Nc2ccc(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 16/20 1.00
CYP3A4 P08684 4/20 0.77
KCNH2 Q12809 4/20 0.77
KIT P10721 4/20 0.77
DDR1 Q08345 3/20 0.77
DDR2 Q16832 3/20 0.77
ABL2 P42684 2/20 0.77
GAK O14976 1/20 0.77
MLNR O43193 1/20 0.77
RIPK2 O43353 1/20 0.77
JAK2 O60674 1/20 0.77
NR1I2 O75469 1/20 0.77
ABCB11 O95342 1/20 0.77
MAP4K4 O95819 1/20 0.77
EGFR P00533 1/20 0.77
NR3C1 P04150 1/20 0.77
ERBB2 P04626 1/20 0.77
NTRK1 P04629 1/20 0.77
LCK P06239 1/20 0.77
FYN P06241 1/20 0.77

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 1.00 ABL1 (1.00) ABL1CYP3A4KCNH2KITDDR1
SCHEMBL24123124 0.95 ABL1 (1.00) ABL1CYP3A4KCNH2KITDDR1
SCHEMBL13194694 0.91 ABL1 (0.88) ABL1CYP3A4KCNH2KITDDR1
SCHEMBL12989619 0.90 ABL1 (1.00) ABL1CYP3A4KCNH2KITDDR1
SCHEMBL589689 0.90 ABL1 (1.00) ABL1CYP3A4KCNH2KITDDR1
SCHEMBL15242137 0.89 ABL1 (0.85) ABL1CYP3A4KCNH2KITDDR1
SCHEMBL21367370 0.89 ABL1 (0.85) ABL1CYP3A4KCNH2KITDDR1
SCHEMBL15473029 0.88 ABL1 (0.83) ABL1CYP3A4KCNH2KITDDR1
SCHEMBL10207526 0.87 ABL1 (0.78) ABL1CYP3A4KCNH2KITDDR1
SCHEMBL18304587 0.87 ABL1 (0.77) ABL1CYP3A4KCNH2KITDDR1

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-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
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 76/4885CYP3A4 2737/4885KCNH2 2222/4885
US-20210393628-A1 COMPOSITIONS AND METHODS FOR MODULATING T CELL EXHAUSTION CD4, ICOS, NFATC1 ABL1 237/4885CYP3A4 2204/4885KCNH2 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.