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SCHEMBL12430171

SCHEMBL12430171

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc(NC(=O)CN(C)C)ccc2OC)nc2[nH]ccc12

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 15/20 0.85
▸ MAPK8 P45983 14/20 0.85
▸ DAPK3 O43293 2/20 0.67
▸ PRKD3 O94806 2/20 0.67
▸ ROS1 P08922 2/20 0.67
▸ FER P16591 2/20 0.67
▸ LTK P29376 2/20 0.67
▸ AXL P30530 2/20 0.67
▸ MAPK9 P45984 2/20 0.67
▸ CLK2 P49760 2/20 0.67
▸ RPS6KA3 P51812 2/20 0.67
▸ CSNK2A1 P68400 2/20 0.67
▸ PTK2 Q05397 2/20 0.67
▸ LRRK2 Q5S007 2/20 0.67
▸ TAOK1 Q7L7X3 2/20 0.67
▸ HIPK4 Q8NE63 2/20 0.67
▸ CLK4 Q9HAZ1 2/20 0.67
▸ ALK Q9UM73 2/20 0.67
▸ DYRK1B Q9Y463 2/20 0.67
▸ MAPK10 P53779 2/20 0.67

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
SCHEMBL13941456 0.92 IGF1R (1.00) IGF1RMAPK8DAPK3PRKD3ROS1
SCHEMBL12430217 0.89 IGF1R (0.85) IGF1RMAPK8DAPK3PRKD3ROS1
SCHEMBL12430157 0.87 IGF1R (0.85) IGF1RMAPK8DAPK3PRKD3ROS1
SCHEMBL13393560 0.84 IGF1R (0.65) IGF1RMAPK8DAPK3PRKD3ROS1
SCHEMBL12429294 0.83 GRK5 (0.84) IGF1RMAPK8GRK5
SCHEMBL12430216 0.83 IGF1R (0.85) IGF1RMAPK8DAPK3PRKD3ROS1
Gsk-2213727A SCHEMBL12430223 0.81 IGF1R (1.00) IGF1RMAPK8DAPK3PRKD3ROS1
SCHEMBL2207652 0.81 IGF1R (0.57) IGF1RMAPK8DAPK3PRKD3ROS1
SCHEMBL12430166 0.81 IGF1R (0.77) IGF1RMAPK8DAPK3PRKD3ROS1
SCHEMBL12428872 0.80 IGF1R (1.00) IGF1RMAPK8DAPK3PRKD3ROS1

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-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 — — US disclosed
US-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 — — US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 — — US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 — — US disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 — — 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-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer IGF1R, IGFBP2, IGFBP1 IGF1R 1/4885MAPK8 1305/4885DAPK3 1681/4885

“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.

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