SCHEMBL2970786

SCHEMBL2970786

COCCOc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1F

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.76
MAP2K1 Q02750 14/20 0.75
MAPK3 P27361 1/20 0.69
MAPK1 P28482 1/20 0.69
MAP3K1 Q13233 1/20 0.69
EGFR P00533 1/20 0.59
ERBB2 P04626 1/20 0.59

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
SCHEMBL6183526 0.93 IGF1R (0.89) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2962648 0.92 MAP2K1 (0.89) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2971320 0.92 IGF1R (0.88) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL6183043 0.89 IGF1R (0.79) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL6182959 0.87 MAP2K1 (0.91) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL4443456 0.87 IGF1R (1.00) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2972917 0.87 IGF1R (0.89) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2961308 0.87 IGF1R (0.89) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL4454660 0.86 MAP2K1 (1.00) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2976171 0.84 IGF1R (0.71) IGF1RMAP2K1MAPK3MAPK1MAP3K1

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-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-20050187247-A1 3-Quinolinecarbonitrile protein kinase inhibitors WYETH (US) 2005-08-25 US disclosed
EP-1499594-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH CORP (US) 2005-08-17 EP disclosed
US-6780996-B2 KINASE INHIBITORS; ANTICANCER AGENTS WYETH HOLDINGS CORPORATION 2004-08-24 US disclosed
US-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles WYETH HOLDINGS CORPORATION 2003-11-13 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-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles MAP4K2, MAP3K7, MAP4K1 IGF1R 2978/4885MAP2K1 300/4885MAPK3 43/4885
US-20090062281-A1 3-QUINOLINECARBONITRILE PROTEIN KINASE INHIBITORS RAF1, KRAS, NRAS IGF1R 862/4885MAP2K1 89/4885MAPK3 11/4885
US-20050187247-A1 3-Quinolinecarbonitrile protein kinase inhibitors RAF1, KRAS, NRAS IGF1R 862/4885MAP2K1 89/4885MAPK3 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.