SCHEMBL311282

SCHEMBL311282

COc1cc(N2CCC(N3CCN(CCF)CC3)CC2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.41
ACVR1 Q04771 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL3 Q96JM7 7/20 0.41
L3MBTL1 Q9Y468 7/20 0.41
TP53BP1 Q12888 2/20 0.41
MBTD1 Q05BQ5 1/20 0.40
EGFR P00533 1/20 0.40
INSR P06213 3/20 0.40
IGF1R P08069 2/20 0.40
ALK Q9UM73 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
KHK P50053 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
SCHEMBL310656 0.95 ALDH1A1 (0.46) TGFBR1ACVR1ALDH1A1SMN1; SMN2L3MBTL3
SCHEMBL310764 0.89 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2L3MBTL3L3MBTL1TP53BP1
SCHEMBL10155152 0.88 TGFBR1 (0.50) TGFBR1ACVR1
SCHEMBL310116 0.87 HTR4 (0.43) TGFBR1ACVR1ALDH1A1EGFRINSR
SCHEMBL10205071 0.87 L3MBTL3 (0.46) ALDH1A1L3MBTL3L3MBTL1INSRIGF1R
SCHEMBL311234 0.86 EGFR (0.45) L3MBTL3L3MBTL1TP53BP1EGFRINSR
SCHEMBL517468 0.86 ALK (0.50) ACVR1EGFRINSRIGF1RALK
SCHEMBL520525 0.85 L3MBTL3 (0.46) L3MBTL3L3MBTL1TP53BP1MBTD1EGFR
SCHEMBL310642 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2L3MBTL3L3MBTL1TP53BP1
SCHEMBL13981451 0.83 L3MBTL3 (0.43) ALDH1A1L3MBTL3L3MBTL1INSRIGF1R

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 25 patents — showing the first 20. 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
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 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-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
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
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 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
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US 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 (2 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 TGFBR1 3125/4885ACVR1 1512/4885ALDH1A1 3410/4885
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 TGFBR1 325/4885ACVR1 255/4885ALDH1A1 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.