SCHEMBL12429545

SCHEMBL12429545

COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc(Nc2cc(F)ccc2C(N)=O)c2cc[nH]c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 20/20 1.00
▸ MAPK8 P45983 2/20 0.77
▸ MAPK10 P53779 2/20 0.77
▸ INSR P06213 1/20 0.77
▸ ALK Q9UM73 1/20 0.77
▸ GRK2 P25098 1/20 0.64
▸ GRK5 P34947 1/20 0.64

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
Gsk-1220512A SCHEMBL12429476 0.95 IGF1R (1.00) IGF1RMAPK8MAPK10INSRALK
SCHEMBL12429622 0.93 IGF1R (1.00) IGF1RMAPK8MAPK10INSRALK
SCHEMBL12429541 0.91 IGF1R (0.84) IGF1RMAPK8MAPK10INSRALK
SCHEMBL12429321 0.91 IGF1R (1.00) IGF1RMAPK8MAPK10INSRALK
SCHEMBL12429548 0.90 IGF1R (0.81) IGF1RMAPK8MAPK10INSRALK
SCHEMBL12429560 0.90 IGF1R (0.90) IGF1RMAPK8MAPK10INSRALK
SCHEMBL12429553 0.90 IGF1R (1.00) IGF1RMAPK8MAPK10INSRALK
SCHEMBL12429561 0.89 IGF1R (1.00) IGF1RMAPK8MAPK10INSRALK
SCHEMBL12429506 0.89 IGF1R (0.80) IGF1RMAPK8MAPK10INSRALK
SCHEMBL12429549 0.88 IGF1R (0.83) IGF1RMAPK8MAPK10INSRALK

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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