SCHEMBL2963124

SCHEMBL2963124

CNc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1N1CCC(N2CCCC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.66
MAP2K1 Q02750 17/20 0.63
MAPK3 P27361 1/20 0.57
MAPK1 P28482 1/20 0.57
MAP3K1 Q13233 1/20 0.57
IKBKB O14920 1/20 0.56
EGFR P00533 1/20 0.56
LYN P07948 1/20 0.56
SRC P12931 1/20 0.56
BRAF P15056 1/20 0.56
RPS6KB1 P23443 1/20 0.56
KDR P35968 1/20 0.56
PRKCQ Q04759 1/20 0.56
PDK1 Q15118 1/20 0.56

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
SCHEMBL2963114 0.92 IGF1R (0.62) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2967791 0.92 IGF1R (0.66) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2966483 0.92 IGF1R (0.66) IGF1RMAP2K1MAPK3MAPK1MAP3K1
Balamapimod SCHEMBL30104249 0.91 IGF1R (0.81) IGF1RMAP2K1MAPK3MAPK1MAP3K1
Balamapimod SCHEMBL2965207 0.91 IGF1R (0.81) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2974425 0.90 IGF1R (0.80) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2975567 0.90 MAP2K1 (0.75) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2962556 0.89 IGF1R (0.63) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2970615 0.88 IGF1R (0.62) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2976171 0.88 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005082891-A1 -QUINOLINECARBONITRILE PROTEIN KINASE INHIBITORS WYETH (US) 2005-09-09 WO claimed
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 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.