SCHEMBL5201099

SCHEMBL5201099

COc1cc2c(Nc3ccc(Cl)cc3Cl)c(C#N)cnc2cc1OCCCN1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 1.00
FYN P06241 3/20 1.00
ABL1 P00519 2/20 0.83
BCR P11274 2/20 0.83
EGFR P00533 1/20 0.77
ERBB2 P04626 1/20 0.77
MAP2K1 Q02750 1/20 0.73

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
SCHEMBL6382249 0.92 SRC (0.86) SRCFYNABL1BCREGFR
SCHEMBL6380451 0.92 SRC (0.86) SRCFYNABL1BCREGFR
SCHEMBL934766 0.92 SRC (1.00) SRCFYNABL1BCREGFR
SCHEMBL5255537 0.91 SRC (1.00) SRCFYNABL1EGFRERBB2
SCHEMBL5251751 0.91 SRC (1.00) SRCFYNABL1EGFRERBB2
SCHEMBL6685924 0.88 SRC (0.83) SRCFYNABL1BCREGFR
SCHEMBL6383141 0.87 EGFR (1.00) SRCFYNABL1BCREGFR
SCHEMBL6380183 0.86 SRC (0.81) SRCFYNABL1BCREGFR
SCHEMBL4453074 0.85 MAP2K1 (0.78) SRCFYNABL1BCREGFR
SCHEMBL6684408 0.85 SRC (0.76) SRCFYNABL1BCREGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744735-A2 METHOD OF TREATMENT OF MYOCARDIAL INFARCTION The Scripps Research Institute (US) 2007-01-24 EP claimed
WO-2005089366-A2 METHOD OF TREATMENT OF MYOCARDIAL INFARCTION THE SCRIPPS RESEARCH INSTITUTE (US) 2005-09-29 WO claimed
US-20040214836-A1 Method of treatment of myocardial infarction NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-10-28 US claimed
EP-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 EP disclosed
EP-1744735-A2 METHOD OF TREATMENT OF MYOCARDIAL INFARCTION The Scripps Research Institute (US) 2007-01-24 EP disclosed
WO-2005089366-A2 METHOD OF TREATMENT OF MYOCARDIAL INFARCTION THE SCRIPPS RESEARCH INSTITUTE (US) 2005-09-29 WO disclosed
US-20040214836-A1 Method of treatment of myocardial infarction NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-10-28 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-20040214836-A1 Method of treatment of myocardial infarction SRC, LCK, DSTYK SRC 1/4885FYN 11/4885ABL1 5/4885

“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.