SCHEMBL2208489

SCHEMBL2208489

CCCN1CCC(COc2ccc(Nc3nc(Nc4cccc(F)c4C(N)=O)c4ccnc-4[nH]3)c(OC)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 18/20 0.51
▸ MAPK8 P45983 15/20 0.51
▸ GRK2 P25098 2/20 0.48
▸ GRK5 P34947 2/20 0.48
▸ GRK1 Q15835 1/20 0.48
▸ ALK Q9UM73 3/20 0.40
▸ INSR P06213 1/20 0.40
▸ MAPK10 P53779 1/20 0.40

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
SCHEMBL2206405 0.89 IGF1R (0.51) IGF1RMAPK8GRK2GRK5GRK1
SCHEMBL2206028 0.87 IGF1R (0.44) IGF1RMAPK8GRK2GRK5GRK1
SCHEMBL2204840 0.86 IGF1R (0.44) IGF1RMAPK8GRK2GRK5GRK1
SCHEMBL2209125 0.83 IGF1R (0.54) IGF1RMAPK8GRK2GRK5GRK1
SCHEMBL2205191 0.82 IGF1R (0.49) IGF1RMAPK8GRK2GRK5GRK1
SCHEMBL12430018 0.81 IGF1R (0.76) IGF1RMAPK8GRK2GRK5GRK1
SCHEMBL2204487 0.81 IGF1R (0.54) IGF1RMAPK8GRK2GRK5GRK1
SCHEMBL2204813 0.80 ALK (0.46) IGF1RMAPK8GRK2GRK5GRK1
SCHEMBL2204054 0.79 INSR (0.51) IGF1RMAPK8ALKINSRMAPK10
SCHEMBL3686711 0.79 IGF1R (0.50) IGF1RMAPK8GRK2GRK5GRK1

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 3 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

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 1305/4885GRK2 125/4885

“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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