SCHEMBL2205730

SCHEMBL2205730

CCCN1CCCC(c2ccc(Nc3nc(Nc4cccc(OC)c4C(N)=O)c4ccnc-4[nH]3)c(OC)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 4/20 0.52
▸ GRK2 P25098 1/20 0.43
▸ GRK5 P34947 1/20 0.43
▸ ALK Q9UM73 6/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ SIGMAR1 Q99720 3/20 0.39
▸ DRD3 P35462 3/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ PRCP P42785 1/20 0.39
▸ EBP Q15125 1/20 0.39
▸ CAMK2D Q13557 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ ACHE P22303 1/20 0.38

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
SCHEMBL2204780 0.91 IGF1R (0.56) IGF1RGRK2GRK5ALKDRD2
Gsk-1173862A SCHEMBL2206397 0.88 IGF1R (0.68) IGF1RGRK2GRK5
SCHEMBL2209493 0.87 IGF1R (0.48) IGF1RGRK2GRK5ALKDRD2
SCHEMBL2206405 0.87 IGF1R (0.51) IGF1RGRK2GRK5ALKCAMK2D
SCHEMBL2204456 0.83 IGF1R (0.46) IGF1RGRK2GRK5ALKMAPK8
SCHEMBL2204487 0.81 IGF1R (0.54) IGF1RGRK2GRK5ALKCAMK2D
Gsk-1326255A SCHEMBL2205722 0.81 IGF1R (0.67) IGF1RGRK2GRK5ALKCAMK2D
SCHEMBL2206560 0.80 IGF1R (0.51) IGF1RGRK2GRK5
SCHEMBL12429426 0.80 IGF1R (0.79) IGF1RGRK2GRK5ALKMAPK8
SCHEMBL2209276 0.80 IGF1R (0.56) IGF1RGRK2GRK5ALKCAMK2D

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 1/4885GRK2 125/4885GRK5 616/4885

“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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