SCHEMBL12428933

SCHEMBL12428933

O=C1CCc2cc(O)c([N+](=O)[O-])cc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.44
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ CYP19A1 P11511 2/20 0.44
▸ CA9 Q16790 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ STS P08842 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ GSK3B P49841 2/20 0.38
▸ GPR35 Q9HC97 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL25387325 0.94 CYP11B1 (0.47) KIF11CYP11B1CYP11B2CYP19A1CA9
SCHEMBL6197256 0.85 MAPT (0.41) KIF11CYP11B1CYP11B2CYP19A1ALDH1A1
SCHEMBL12428931 0.81 KIF11 (0.44) KIF11CYP11B1CYP11B2CA9ALDH1A1
SCHEMBL12682656 0.79 CYP11B1 (0.56) KIF11CYP11B1CYP11B2CYP19A1CA9
SCHEMBL30100755 0.78 KIF11 (0.44) KIF11CYP11B1CYP11B2CA9ALDH1A1
SCHEMBL21646065 0.78 KIF11 (0.44) KIF11CYP11B1CYP11B2CA9NPC1
SCHEMBL1027734 0.78 KIF11 (0.44) KIF11CYP11B1CYP11B2CA9ALDH1A1
SCHEMBL20594837 0.78 MAPT (0.55) KIF11CYP11B1CYP11B2CA9ALDH1A1
SCHEMBL30806271 0.78 KIF11 (0.44) KIF11CYP11B1CYP11B2CA9NPC1
SCHEMBL23674943 0.78 KIF11 (0.44) KIF11CYP11B1CYP11B2CA9ALDH1A1

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 5 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-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-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 — — 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

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 KIF11 2537/4885CYP11B1 3680/4885CYP11B2 3303/4885

“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.

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