SCHEMBL2200956

SCHEMBL2200956

CCCN1CCC(COc2ccc([N+](=O)[O-])c(OC)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
HTR4 Q13639 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR1D P28221 1/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
HTR2B P41595 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
ACHE P22303 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
DRD2 P14416 1/20 0.43
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42

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
SCHEMBL12428888 0.89 SIRT6 (0.54) SIGMAR1MEN1KMT2ASIRT6MAOB
SCHEMBL12312061 0.82 MAOA (0.51) SIGMAR1MEN1KMT2ASIRT6MAOB
SCHEMBL2204123 0.81 HTR4 (0.64) HTR4HTR1DHTR2AHTR7HTR2B
SCHEMBL2949607 0.77 MEN1 (0.56) SIGMAR1MEN1KMT2AACHEMAOB
SCHEMBL1964818 0.77 KDM4E (0.66) MEN1KMT2ASIRT6ALDH1A1LMNA
SCHEMBL2205189 0.76 SIRT6 (0.58) MEN1KMT2ASIRT6ALDH1A1LMNA
SCHEMBL3318509 0.76 KDM4E (0.56) MEN1KMT2AHTR1DSIRT6ALDH1A1
SCHEMBL29380601 0.76 KDM4E (0.59) MEN1KMT2AMAOBALDH1A1LMNA
SCHEMBL21814293 0.76 KDM4E (0.59) MEN1KMT2AMAOBALDH1A1LMNA
SCHEMBL1962920 0.76 KDM4E (0.67) MEN1KMT2ASIRT6ACHEMAOB

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 11 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
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-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
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
EP-2188292-A1 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) 2010-05-26 EP 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
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 SIGMAR1 3096/4885HTR4 2806/4885MEN1 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.