SCHEMBL4453726

SCHEMBL4453726

COc1cc2c(Nc3ccc4cn[nH]c4c3)c(C#N)cnc2cc1OCCN1CCN(C)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.66
WEE2 P0C1S8 2/20 0.63
WEE1 P30291 2/20 0.63
PKMYT1 Q99640 2/20 0.63
FYN P06241 2/20 0.60
MAP2K1 Q02750 3/20 0.60
EGFR P00533 2/20 0.60
ERBB2 P04626 2/20 0.60
STK25 O00506 1/20 0.60
CIT O14578 1/20 0.60
RIOK3 O14730 1/20 0.60
MAP2K7 O14733 1/20 0.60
CHEK1 O14757 1/20 0.60
CASK O14936 1/20 0.60
GAK O14976 1/20 0.60
EPHB6 O15197 1/20 0.60
MAP3K13 O43283 1/20 0.60
MAP3K7 O43318 1/20 0.60
RIPK2 O43353 1/20 0.60
NUAK1 O60285 1/20 0.60

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
SCHEMBL4447122 0.93 MAP2K1 (0.70) SRCMAP2K1EGFRERBB2RAF1
SCHEMBL4454949 0.93 SRC (0.59) SRCWEE2WEE1PKMYT1MAP2K1
SCHEMBL4457357 0.92 SRC (0.66) SRCFYNMAP2K1CSF1RRAF1
SCHEMBL4451210 0.91 SRC (0.59) SRCWEE2WEE1PKMYT1FYN
SCHEMBL4456411 0.90 MAP2K1 (0.58) SRCMAP2K1EGFRERBB2RAF1
SCHEMBL2206555 0.89 MAP2K1 (0.75) SRCMAP2K1EGFRERBB2RAF1
SCHEMBL4450583 0.89 MAP2K1 (0.75) SRCMAP2K1EGFRERBB2RAF1
Hydrochloric Acid SCHEMBL6997359 0.89 MAP2K1 (0.74) SRCMAP2K1EGFRERBB2RAF1
SCHEMBL4443460 0.88 EGFR (0.71) SRCMAP2K1EGFRERBB2RET
SCHEMBL4445445 0.88 EGFR (0.61) SRCMAP2K1EGFRERBB2RET

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-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
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 9/4885WEE2 941/4885WEE1 697/4885

“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.