SCHEMBL2962648

SCHEMBL2962648

CCOc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1F

nearest known ligand 0.89

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 14/20 0.89
IGF1R P08069 8/20 0.77
MAPK3 P27361 1/20 0.66
MAPK1 P28482 1/20 0.66
MAP3K1 Q13233 1/20 0.66
EGFR P00533 1/20 0.65
ERBB2 P04626 1/20 0.65

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
SCHEMBL4454660 0.94 MAP2K1 (1.00) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL2971320 0.92 IGF1R (0.88) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL2970786 0.92 IGF1R (0.76) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL4443456 0.87 IGF1R (1.00) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL2966953 0.85 IGF1R (0.75) MAP2K1IGF1REGFR
SCHEMBL2961308 0.84 IGF1R (0.89) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL2972917 0.84 IGF1R (0.89) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL6183526 0.84 IGF1R (0.89) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL4123817 0.84 IGF1R (0.71) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL7001176 0.84 MAP2K1 (0.77) MAP2K1IGF1RMAPK3MAPK1MAP3K1

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-7767671-B2 3-Quinolinecarbonitrile protein kinase inhibitors WYETH (US) 2010-08-03 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
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 (2 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 89/4885IGF1R 862/4885MAPK3 11/4885
US-20050187247-A1 3-Quinolinecarbonitrile protein kinase inhibitors RAF1, KRAS, NRAS MAP2K1 89/4885IGF1R 862/4885MAPK3 11/4885

“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.