SCHEMBL4451210

SCHEMBL4451210

COc1cc2c(Nc3ccc4cn[nH]c4c3)c(C#N)cnc2cc1OCCN1CCc2ccccc2C1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.59
MAP2K1 Q02750 6/20 0.57
RAF1 P04049 2/20 0.57
MAPK3 P27361 1/20 0.53
MAPK1 P28482 1/20 0.53
WEE2 P0C1S8 1/20 0.52
WEE1 P30291 1/20 0.52
PKMYT1 Q99640 1/20 0.52
FYN P06241 1/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51

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
SCHEMBL4453726 0.91 SRC (0.66) SRCMAP2K1RAF1WEE2WEE1
SCHEMBL7850993 0.87 SRC (0.48) SRCMAP2K1RAF1EGFRERBB2
SCHEMBL4447122 0.87 MAP2K1 (0.70) SRCMAP2K1RAF1MAPK3MAPK1
SCHEMBL4454949 0.87 SRC (0.59) SRCMAP2K1RAF1MAPK3MAPK1
SCHEMBL4457357 0.86 SRC (0.66) SRCMAP2K1RAF1FYN
SCHEMBL4456411 0.84 MAP2K1 (0.58) SRCMAP2K1RAF1MAPK3MAPK1
SCHEMBL4450583 0.83 MAP2K1 (0.75) SRCMAP2K1RAF1MAPK3MAPK1
SCHEMBL2206555 0.83 MAP2K1 (0.75) SRCMAP2K1RAF1MAPK3MAPK1
Hydrochloric Acid SCHEMBL6997359 0.83 MAP2K1 (0.74) SRCMAP2K1RAF1MAPK3MAPK1
SCHEMBL4443460 0.82 EGFR (0.71) SRCMAP2K1EGFRERBB2

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 8 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
EP-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP claimed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO 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
EP-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 EP disclosed
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 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 SRC 9/4885MAP2K1 840/4885RAF1 126/4885

“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.