SCHEMBL3792013

SCHEMBL3792013

CN(C)CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.64
RECQL P46063 1/20 0.64
ALDH1A1 P00352 8/20 0.61
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
MAPT P10636 4/20 0.58
HTT P42858 3/20 0.58
PKM P14618 1/20 0.58
MAPK1 P28482 1/20 0.58
RAC1 P63000 1/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL15562788 0.86 LMNA (0.58) LMNARECQLALDH1A1MEN1KMT2A
SCHEMBL2203490 0.85 SMN1; SMN2 (0.69) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6593159 0.85 LMNA (0.68) LMNARECQLALDH1A1MEN1KMT2A
SCHEMBL3801020 0.84 KMT2A (0.63) LMNARECQLALDH1A1MEN1KMT2A
SCHEMBL9843646 0.83 LMNA (0.66) LMNARECQLALDH1A1MEN1KMT2A
SCHEMBL5182303 0.82 LMNA (0.69) LMNARECQLALDH1A1MEN1KMT2A
SCHEMBL18631328 0.82 LMNA (0.56) LMNARECQLALDH1A1MEN1KMT2A
SCHEMBL18631333 0.82 LMNA (0.56) LMNARECQLALDH1A1MEN1KMT2A
SCHEMBL6769086 0.82 LMNA (0.64) LMNARECQLALDH1A1MEN1KMT2A
SCHEMBL3722143 0.82 ALDH1A1 (0.64) LMNAALDH1A1MEN1KMT2ASMN1; SMN2

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 8 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-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
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 LMNA 4161/4885RECQL 3138/4885ALDH1A1 378/4885

“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.