SCHEMBL2206444

SCHEMBL2206444

O=[N+]([O-])c1cc2c(cc1F)CCN2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
MAPT P10636 5/20 0.67
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HIF1A Q16665 1/20 0.40
PGR P06401 2/20 0.39
VCAM1 P19320 1/20 0.38
ESPL1 Q14674 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
AR P10275 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ADRA2A P08913 1/20 0.34
PNMT P11086 1/20 0.34
GFER P55789 1/20 0.33

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
SCHEMBL13393627 0.83 MAPT (0.50) ALDH1A1MAPTDRD2DRD4AR
SCHEMBL394896 0.80 MAPT (1.00) ALDH1A1MAPTDRD2DRD4HTR2A
SCHEMBL2267850 0.80 MAPT (0.67) ALDH1A1MAPTTDP1DRD2DRD4
SCHEMBL1746106 0.80 ALDH1A1 (0.67) ALDH1A1MAPTATMDRD2DRD4
SCHEMBL17064696 0.80 PARP10 (0.50) ALDH1A1MAPTATMTDP1
SCHEMBL13362121 0.80 ALDH1A1 (0.61) ALDH1A1MAPTTDP1HIF1APGR
Hydrochloric Acid SCHEMBL10848491 0.79 MAPT (0.65) ALDH1A1MAPTTDP1DRD2DRD4
SCHEMBL393596 0.78 ALDH1A1 (0.63) ALDH1A1MAPTDRD2DRD4HTR2A
SCHEMBL8646022 0.77 ALDH1A1 (0.62) ALDH1A1MAPTVCAM1DRD2DRD4
SCHEMBL2207168 0.76 ALDH1A1 (0.61) ALDH1A1MAPTTDP1HTR2AHTR2C

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 9 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
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
CN-101827848-B 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 2012-11-07 CN 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
CN-101827848-A 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 CORP 2010-09-08 CN 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 ALDH1A1 378/4885MAPT 4427/4885ATM 824/4885

“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.