SCHEMBL2206982

SCHEMBL2206982

CNCC(=O)N(C)c1cc([N+](=O)[O-])c(OC)cc1C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 5/20 0.42
PTBP1 P26599 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2205963 0.85 LMNA (0.43) ALDH1A1LMNAPTBP1SMN1; SMN2L3MBTL1
SCHEMBL22942130 0.72 KMT2A (0.41) ALDH1A1LMNAPTBP1SMN1; SMN2L3MBTL1
SCHEMBL2203494 0.72 TSHR (0.46) ALDH1A1LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL8089043 0.70 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL2206981 0.69 LMNA (0.61) ALDH1A1LMNAPTBP1SMN1; SMN2L3MBTL1
SCHEMBL14993998 0.69 PDGFRB (0.62) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL2955974 0.69 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL29738113 0.69 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL2944676 0.69 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL9024763 0.68 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2KMT2AKDM4E

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 3 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-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

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 ALDH1A1 378/4885LMNA 4161/4885PTBP1 163/4885

“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.