SCHEMBL12856462

SCHEMBL12856462

COc1cccc(-c2cn(C3CCCC3)c3ncnc(N)c23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 1.00
SRC P12931 16/20 1.00
ABL1 P00519 15/20 1.00
ABL2 P42684 15/20 1.00
LCK P06239 4/20 0.79
KDR P35968 3/20 0.79
TEK Q02763 2/20 0.79
IGF1R P08069 3/20 0.72
LYN P07948 2/20 0.72
JAK2 O60674 1/20 0.72
NTRK1 P04629 1/20 0.72
INSR P06213 1/20 0.72
NPM1 P06748 1/20 0.72
CSF1R P07333 1/20 0.72
RET P07949 1/20 0.72
MET P08581 1/20 0.72
ROS1 P08922 1/20 0.72
PDGFRB P09619 1/20 0.72
KIT P10721 1/20 0.72
BCR P11274 1/20 0.72

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
SCHEMBL18521878 0.99 EGFR (0.98) EGFRSRCABL1ABL2LCK
SCHEMBL7025438 0.92 ABL1 (0.85) EGFRSRCABL1ABL2LCK
SCHEMBL8098925 0.91 SRC (0.89) EGFRSRCABL1ABL2LCK
SCHEMBL7004447 0.88 LCK (1.00) EGFRSRCABL1ABL2LCK
SCHEMBL14040958 0.87 SRC (1.00) EGFRSRCABL1ABL2LCK
Hydrochloric Acid SCHEMBL8099098 0.86 SRC (0.98) EGFRSRCABL1ABL2LCK
SCHEMBL8107295 0.86 EGFR (0.86) EGFRSRCABL1ABL2LCK
SCHEMBL7021384 0.86 EGFR (1.00) EGFRSRCABL1ABL2LCK
SCHEMBL7019158 0.85 ABL1 (0.74) EGFRSRCABL1ABL2LCK
SCHEMBL7016766 0.84 ABL1 (1.00) EGFRSRCABL1ABL2LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3641776-B1 ATROPISOMERISM FOR ENHANCED KINASE INHIBITOR SELECTIVITY SAN DIEGO STATE UNIV RESEARCH FOUNDATION (US) 2023-10-18 EP disclosed
US-10934300-B2 Atropisomerism for enhanced kinase inhibitor selectivity SAN DIEGO STATE UNIVERSITY (SDSU) FOUNDATION (US) 2021-03-02 US disclosed
US-20200165258-A1 ATROPISOMERISM FOR ENHANCED KINASE INHIBITOR SELECTIVITY SAN DIEGO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-05-28 US disclosed
EP-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 EP disclosed
EP-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 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 (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-10934300-B2 Atropisomerism for enhanced kinase inhibitor selectivity MAP2K2, MAP2K3, MAP3K20 EGFR 417/4885SRC 161/4885ABL1 157/4885
US-20200165258-A1 ATROPISOMERISM FOR ENHANCED KINASE INHIBITOR SELECTIVITY MAP2K2, MAP2K3, MAP3K20 EGFR 417/4885SRC 161/4885ABL1 157/4885

“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.