SCHEMBL12429331

SCHEMBL12429331

COc1ccc(N2CCN(C)CC2)cc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 12/20 0.75
▸ MAPK8 P45983 2/20 0.67
▸ MAPK10 P53779 2/20 0.67
▸ GRK5 P34947 5/20 0.65
▸ PTK2 Q05397 1/20 0.64
▸ ALK Q9UM73 3/20 0.59
▸ INSR P06213 2/20 0.59
▸ MAP4K1 Q92918 1/20 0.57

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
SCHEMBL12429358 0.91 IGF1R (0.90) IGF1RMAPK8MAPK10ALKINSR
SCHEMBL14980807 0.89 IGF1R (0.65) IGF1RMAPK8MAPK10GRK5PTK2
SCHEMBL12429284 0.86 IGF1R (0.85) IGF1RMAPK8MAPK10GRK5PTK2
SCHEMBL12429321 0.86 IGF1R (1.00) IGF1RMAPK8MAPK10PTK2ALK
SCHEMBL12429379 0.86 PTK2 (0.85) IGF1RMAPK8MAPK10GRK5PTK2
SCHEMBL12430025 0.80 IGF1R (0.81) IGF1RMAPK8MAPK10ALKINSR
SCHEMBL12429374 0.80 PTK2 (0.69) IGF1RMAPK8MAPK10GRK5PTK2
SCHEMBL11919325 0.79 PTK2 (0.84) IGF1RPTK2ALKINSRMAP4K1
SCHEMBL12429328 0.79 GRK5 (0.69) IGF1RMAPK8GRK5
SCHEMBL12429275 0.79 IGF1R (0.71) IGF1RGRK5PTK2MAP4K1

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 1305/4885MAPK10 1958/4885

“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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