SCHEMBL2205243

SCHEMBL2205243

COc1ccc(N(C)C(=O)CN(C)C)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.45
▸ KEAP1 Q14145 2/20 0.43
▸ NFE2L2 Q16236 2/20 0.43
▸ HTT P42858 3/20 0.42
▸ HPGD P15428 2/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CRHR1 P34998 1/20 0.37
▸ STS P08842 1/20 0.37

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
SCHEMBL14925281 0.81 KMT2A (0.46) LMNAL3MBTL1ALDH1A1KEAP1NFE2L2
SCHEMBL14980792 0.80 HSD17B1 (0.39) LMNAALDH1A1HTTHPGDCYP3A4
SCHEMBL2206662 0.74 IGF1R (0.40) LMNAL3MBTL1ALDH1A1HTTHPGD
SCHEMBL9020581 0.73 CA12 (0.42) ALDH1A1HTTMAPTKDM4ETSHR
SCHEMBL11418912 0.71 HSD17B1 (0.36) HTTMAPTKDM4ESMN1; SMN2STS
SCHEMBL8809964 0.71 KMT2A (0.43) LMNAALDH1A1KEAP1NFE2L2HTT
SCHEMBL22887378 0.71 HSD17B2 (0.49) CYP3A4MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL14009296 0.71 HSD17B2 (0.47) MAPTKDM4ESMN1; SMN2HSD17B1HSD17B2
SCHEMBL18180331 0.70 PPARG (0.43) TSHRMEN1KMT2A
SCHEMBL23139862 0.70 HTT (0.56) LMNAALDH1A1KEAP1NFE2L2HTT

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
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
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 4161/4885L3MBTL1 4249/4885ALDH1A1 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.

Send feedback