SCHEMBL12429328

SCHEMBL12429328

COc1ccc(CS(C)(=O)=O)cc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRK5 P34947 12/20 0.69
▸ IGF1R P08069 5/20 0.58
▸ MAPK8 P45983 3/20 0.58
▸ TTK P33981 1/20 0.53

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
SCHEMBL12429391 0.94 GRK5 (0.73) GRK5IGF1R
SCHEMBL21068043 0.82 IGF1R (0.66) GRK5IGF1RMAPK8
SCHEMBL29395565 0.82 IGF1R (0.66) GRK5IGF1RMAPK8
SCHEMBL12510545 0.81 GRK5 (0.46) GRK5IGF1RMAPK8
SCHEMBL12429294 0.80 GRK5 (0.84) GRK5IGF1RMAPK8
SCHEMBL12429331 0.79 IGF1R (0.75) GRK5IGF1RMAPK8
SCHEMBL12429358 0.77 IGF1R (0.90) IGF1RMAPK8
SCHEMBL30372089 0.77 MAP4K1 (0.64) GRK5IGF1RMAPK8TTK
SCHEMBL2205791 0.75 ALK (0.41) GRK5IGF1RMAPK8
SCHEMBL12429379 0.74 PTK2 (0.85) GRK5IGF1RMAPK8TTK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188292-B1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-29 — — EP 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
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 GRK5 616/4885IGF1R 1/4885MAPK8 1305/4885

“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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