SCHEMBL2204451

SCHEMBL2204451

COc1cc2c(cc1[N+](=O)[O-])N(C(=O)CN1CCN(C(C)C)CC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
PLK1 P53350 1/20 0.46
HTR1A P08908 2/20 0.44
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
IGF1R P08069 2/20 0.44
MAPK8 P45983 2/20 0.44
DRD4 P21917 2/20 0.44
DRD2 P14416 2/20 0.44
KMT2A Q03164 4/20 0.43
HRH3 Q9Y5N1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
BIRC2 Q13490 1/20 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
SCHEMBL2205417 0.90 IGF1R (0.46) BRD4PLK1HTR1AHTR1DHTR1B
SCHEMBL2206786 0.89 SMN1; SMN2 (0.53) BRD4PLK1HTR1AHTR1DHTR1B
SCHEMBL2209631 0.86 KMT2A (0.47) BRD4PLK1HTR1AHTR1DHTR1B
SCHEMBL2204786 0.83 SMN1; SMN2 (0.52) HTR1AHTR1DHTR1BIGF1RMAPK8
SCHEMBL2205689 0.83 IGF1R (0.48) BRD4PLK1IGF1RMAPK8DRD4
SCHEMBL2205746 0.82 SMN1; SMN2 (0.53) HTR1AHTR1DHTR1BIGF1RMAPK8
SCHEMBL2205322 0.81 HTR1A (0.50) PLK1HTR1AHTR1DHTR1BKMT2A
SCHEMBL2207115 0.81 HTR1A (0.50) PLK1HTR1AHTR1DHTR1BKMT2A
SCHEMBL2203592 0.81 HTR1A (0.52) PLK1HTR1AHTR1DHTR1BKMT2A
SCHEMBL2201991 0.79 PLK1 (0.54) PLK1HTR1AHTR1DHTR1BIGF1R

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 BRD4 540/4885PLK1 886/4885HTR1A 1439/4885

“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.