SCHEMBL4453074

SCHEMBL4453074

COc1cc2c(Nc3ccc(Sc4nccs4)cc3Cl)c(C#N)cnc2cc1OCCCN1CCOCC1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.78
SRC P12931 15/20 0.74
FYN P06241 2/20 0.74
ABL1 P00519 2/20 0.69
BCR P11274 2/20 0.69
IGF1R P08069 1/20 0.64
EGFR P00533 1/20 0.63
ERBB2 P04626 1/20 0.63

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
SCHEMBL6995772 0.88 MAP2K1 (0.60) MAP2K1SRCFYNABL1BCR
SCHEMBL5201099 0.85 SRC (1.00) MAP2K1SRCFYNABL1BCR
SCHEMBL6380451 0.80 SRC (0.86) MAP2K1SRCFYNABL1BCR
SCHEMBL6382249 0.80 SRC (0.86) MAP2K1SRCFYNABL1BCR
SCHEMBL6685924 0.80 SRC (0.83) MAP2K1SRCFYNABL1BCR
SCHEMBL934766 0.80 SRC (1.00) MAP2K1SRCFYNABL1BCR
SCHEMBL933446 0.79 SRC (0.87) MAP2K1SRCFYNABL1BCR
SCHEMBL6380183 0.78 SRC (0.81) MAP2K1SRCFYNABL1BCR
SCHEMBL6380651 0.78 MAP2K1 (0.74) MAP2K1SRCFYNABL1BCR
SCHEMBL4447775 0.78 MAP2K1 (1.00) MAP2K1IGF1REGFRERBB2

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
EP-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 EP claimed
US-6288082-B1 COMPOUNDS SUCH AS 6,7-DIETHOXY-4-(INDAN-5-YLAMINO) -QUINOLINE-3-CARBONITRILE USED AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYCSTIC KIDNEY DISEASE AMERICAN CYANAMID COMPANY 2001-09-11 US claimed
US-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer WYETH (US) 2009-12-31 US disclosed
WO-2009151910-A2 COMBINATION PRODUCT OF RECEPTOR TYROSINE KINASE INHIBITOR AND FATTY ACID SYNTHASE INHIBITOR FOR TREATING CANCER WYETH (US) 2009-12-17 WO 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-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer FASN, FRS2, FGFR1 MAP2K1 840/4885SRC 9/4885FYN 33/4885

“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.