SCHEMBL4122985

SCHEMBL4122985

COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1/C=C/CCN1CCCC1

nearest known ligand 0.92

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.92
IGF1R P08069 6/20 0.77
SRC P12931 2/20 0.69
IKBKB O14920 1/20 0.69
EGFR P00533 1/20 0.69
LYN P07948 1/20 0.69
BRAF P15056 1/20 0.69
RPS6KB1 P23443 1/20 0.69
KDR P35968 1/20 0.69
PRKCQ Q04759 1/20 0.69
PDK1 Q15118 1/20 0.69
MAPK3 P27361 1/20 0.69
MAPK1 P28482 1/20 0.69
MAP3K1 Q13233 1/20 0.69

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
SCHEMBL4122991 1.00 MAP2K1 (0.92) MAP2K1IGF1RSRCIKBKBEGFR
SCHEMBL4123948 0.96 MAP2K1 (1.00) MAP2K1IGF1RSRCIKBKBEGFR
SCHEMBL4123952 0.96 MAP2K1 (1.00) MAP2K1IGF1RSRCIKBKBEGFR
SCHEMBL4129826 0.92 MAP2K1 (1.00) MAP2K1IGF1RSRCIKBKBEGFR
SCHEMBL4129821 0.92 MAP2K1 (1.00) MAP2K1IGF1RSRCIKBKBEGFR
SCHEMBL4101166 0.91 MAP2K1 (1.00) MAP2K1IGF1RSRCIKBKBEGFR
SCHEMBL4101167 0.91 MAP2K1 (1.00) MAP2K1IGF1RSRCIKBKBEGFR
SCHEMBL4127203 0.90 MAP2K1 (0.88) MAP2K1IGF1REGFRMAPK3MAPK1
SCHEMBL4127200 0.90 MAP2K1 (0.88) MAP2K1IGF1REGFRMAPK3MAPK1
SCHEMBL4122589 0.89 MAP2K1 (1.00) MAP2K1IGF1RSRCIKBKBEGFR

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
US-20090099356-A1 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION WYETH (US) 2009-04-16 US claimed
EP-1981505-A4 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION WYETH CORP (US) 2009-05-13 EP disclosed
US-20090099356-A1 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION WYETH (US) 2009-04-16 US disclosed
EP-1981505-A2 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION Wyeth a Corporation of the State of Delaware (US) 2008-10-22 EP disclosed
WO-2007092153-A2 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION WYETH (US) 2007-08-16 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-20090099356-A1 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION PARK7, UQCRB, PRMT7 MAP2K1 2266/4885IGF1R 2125/4885SRC 3605/4885

“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.