SCHEMBL2206196

SCHEMBL2206196

COc1cc(CS(C)(=O)=O)ccc1Nc1nc(Nc2ccccc2C(N)=O)c2ccnc-2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRK5 P34947 4/20 0.44
▸ INSR P06213 4/20 0.43
▸ IGF1R P08069 4/20 0.43
▸ ALK Q9UM73 3/20 0.43
▸ MAPK8 P45983 4/20 0.41
▸ MAPK10 P53779 3/20 0.41
▸ MAPK9 P45984 3/20 0.41
▸ PKMYT1 Q99640 1/20 0.39
▸ KDR P35968 3/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ MAP4K4 O95819 2/20 0.39
▸ LCK P06239 2/20 0.39
▸ LYN P07948 2/20 0.39
▸ RET P07949 2/20 0.39
▸ SRC P12931 2/20 0.39
▸ BLK P51451 2/20 0.39
▸ RPS6KA3 P51812 2/20 0.39
▸ PRKCD Q05655 2/20 0.39
▸ MAP4K2 Q12851 2/20 0.39
▸ ERBB4 Q15303 2/20 0.39

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
SCHEMBL2205791 0.94 ALK (0.41) GRK5INSRIGF1RALKMAPK8
SCHEMBL2207865 0.79 MAPK10 (0.65) INSRIGF1RALKMAPK8MAPK10
SCHEMBL2206378 0.78 IGF1R (0.54) GRK5INSRIGF1RALKMAPK8
SCHEMBL2207667 0.78 IGF1R (0.63) INSRIGF1RALKMAPK8MAPK10
SCHEMBL2204456 0.77 IGF1R (0.46) GRK5INSRIGF1RALKMAPK8
SCHEMBL2204845 0.77 IGF1R (0.54) INSRIGF1RALKMAPK8MAPK10
SCHEMBL2206666 0.77 GRK5 (0.51) GRK5INSRIGF1RALKMAPK8
SCHEMBL2204780 0.76 IGF1R (0.56) GRK5INSRIGF1RALKMAPK8
SCHEMBL12429391 0.76 GRK5 (0.73) GRK5IGF1RPTK2
SCHEMBL2203705 0.76 IGF1R (0.66) GRK5INSRIGF1RALKMAPK8

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 GRK5 616/4885INSR 17/4885IGF1R 1/4885

“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.

Send feedback