SCHEMBL12428994

SCHEMBL12428994

CCC[n+]1cccc(-c2ccc([N+](=O)[O-])c(OC)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.45
ABCB1 P08183 5/20 0.44
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ABCC1 P33527 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
Iodide SCHEMBL2203284 0.99 ABCB1 (0.46) CHEK1ABCB1ALDH1A1TDP1ABCC1
SCHEMBL12429002 0.91 ABCB1 (0.46) ABCB1ALDH1A1TDP1ABCC1LMNA
SCHEMBL2955866 0.90 CHEK1 (0.46) CHEK1ABCB1ALDH1A1TDP1ABCC1
Iodide SCHEMBL2207995 0.89 ABCB1 (0.48) ABCB1ALDH1A1TDP1ABCC1LMNA
SCHEMBL10266656 0.86 CHEK1 (0.47) CHEK1ABCB1ALDH1A1TDP1LMNA
Iodide SCHEMBL309744 0.85 CHEK1 (0.47) CHEK1ABCB1ALDH1A1TDP1LMNA
SCHEMBL12428988 0.84 MAPT (0.38) ABCB1ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL12428999 0.84 CHEK1 (0.43) CHEK1ABCB1ALDH1A1TDP1ABCC1
Iodide SCHEMBL310215 0.84 CHEK1 (0.43) CHEK1ABCB1ALDH1A1TDP1ABCC1
Iodide SCHEMBL2209494 0.83 MAPT (0.38) ABCB1ALDH1A1LMNAL3MBTL1MEN1

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
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
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 CHEK1 477/4885ABCB1 2297/4885ALDH1A1 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.