SCHEMBL2970665

SCHEMBL2970665

COc1cc2c(Nc3ccc(Oc4ccccc4OC)cc3)c(C#N)cnc2cc1F

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.73
RAF1 P04049 5/20 0.73
EGFR P00533 6/20 0.69
ERBB2 P04626 6/20 0.69
SRC P12931 3/20 0.62

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
SCHEMBL4958136 0.89 MAP2K1 (0.74) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL2967767 0.87 MAP2K1 (0.71) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL2977148 0.86 SRC (0.64) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL14595247 0.86 MAP2K1 (0.69) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL14116952 0.86 MAP2K1 (0.75) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL14116905 0.85 MAP2K1 (0.68) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL14116902 0.85 MAP2K1 (0.71) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL6382750 0.85 MAP2K1 (1.00) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL4954951 0.84 MAP2K1 (0.76) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL4954921 0.84 MAP2K1 (0.73) MAP2K1RAF1EGFRERBB2SRC

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
US-7767671-B2 3-Quinolinecarbonitrile protein kinase inhibitors WYETH (US) 2010-08-03 US disclosed
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20090062281-A1 3-QUINOLINECARBONITRILE PROTEIN KINASE INHIBITORS WYETH (US) 2009-03-05 US disclosed
US-7449460-B2 3-Quinolinecarbonitrile protein kinase inhibitors WYETH (US) 2008-11-11 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
WO-2005082891-A1 -QUINOLINECARBONITRILE PROTEIN KINASE INHIBITORS WYETH (US) 2005-09-09 WO disclosed
US-20050187247-A1 3-Quinolinecarbonitrile protein kinase inhibitors WYETH (US) 2005-08-25 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 (3 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-20090062281-A1 3-QUINOLINECARBONITRILE PROTEIN KINASE INHIBITORS RAF1, KRAS, NRAS MAP2K1 89/4885RAF1 1/4885EGFR 895/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 MAP2K1 518/4885RAF1 4179/4885EGFR 132/4885
US-20050187247-A1 3-Quinolinecarbonitrile protein kinase inhibitors RAF1, KRAS, NRAS MAP2K1 89/4885RAF1 1/4885EGFR 895/4885

“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.