SCHEMBL2206015

SCHEMBL2206015

COc1cccc(Nc2nc(Cl)nc3c2ccn3S(=O)(=O)c2ccc(C)cc2)c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HTR6 P50406 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 4/20 0.37
PPARD Q03181 4/20 0.37
PPARA Q07869 3/20 0.37
EGFR P00533 3/20 0.36
KDR P35968 2/20 0.36
HPGD P15428 1/20 0.36
IGF1R P08069 1/20 0.36
PTK2 Q05397 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL2204597 0.89 L3MBTL1 (0.40) ACVR1KMT2AMEN1HSD17B10HTR6
SCHEMBL2203177 0.88 KMT2A (0.39) ACVR1KMT2AMEN1HTR6L3MBTL1
SCHEMBL2208386 0.86 ACVR1 (0.44) ACVR1HSD17B10L3MBTL1PPARGPPARD
SCHEMBL2204851 0.84 L3MBTL1 (0.41) ACVR1L3MBTL1PTK2
SCHEMBL2209287 0.83 L3MBTL1 (0.36) ACVR1KMT2AMEN1HTR6L3MBTL1
SCHEMBL2208748 0.82 ACVR1 (0.40) ACVR1KMT2AGAAHTR6L3MBTL1
SCHEMBL2204549 0.82 ACVR1 (0.40) ACVR1GAAHTR6PPARGPPARD
SCHEMBL2203583 0.82 ACVR1 (0.36) ACVR1KMT2AMEN1HTR6L3MBTL1
SCHEMBL12429251 0.81 IGF1R (0.49) KMT2AGAAHSD17B10EGFRKDR
SCHEMBL2209188 0.81 PPARG (0.39) ACVR1KMT2AHTR6L3MBTL1PPARG

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 6 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-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 ACVR1 255/4885KMT2A 1947/4885MEN1 860/4885

“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.