SCHEMBL4895564

SCHEMBL4895564

CC(C)(C)OC(=O)Nc1cc(F)cc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.45
RAPGEF4 Q8WZA2 3/20 0.42
RAPGEF3 O95398 2/20 0.42
SLC13A3 Q8WWT9 1/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
P2RX1 P51575 1/20 0.39
P2RX4 Q99571 1/20 0.39
P2RX7 Q99572 1/20 0.39
EPAS1 Q99814 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.39
CYP17A1 P05093 1/20 0.38
ATR Q13535 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 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
SCHEMBL28860305 0.89 CA12 (0.43) CA12CA1CA9CYP17A1
SCHEMBL5879121 0.89 L3MBTL1 (0.47) SLC13A3CA12CA1CA9MEN1
SCHEMBL3786493 0.89 L3MBTL1 (0.44) SLC13A3CA12CA1CA9MEN1
SCHEMBL9630497 0.83 GRM4 (0.49) GRM4RAPGEF4SLC13A3P2RX1P2RX4
SCHEMBL22081738 0.83 CA12 (0.43) SLC13A3CA12CA1CA9P2RX1
SCHEMBL31093899 0.83 CA12 (0.43) SLC13A3CA12CA1CA9P2RX1
SCHEMBL8572362 0.82 SLC13A3 (0.63) RAPGEF4RAPGEF3SLC13A3P2RX1P2RX4
SCHEMBL22081832 0.82 SLC13A3 (0.52) RAPGEF4RAPGEF3SLC13A3CA12CA1
SCHEMBL22081737 0.81 LCK (0.41) SLC13A3CA12CA1CA9MEN1
SCHEMBL22032877 0.81 CA12 (0.39) SLC13A3CA12CA1CA9MEN1

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 6 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
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
US-20080293749-A1 Pyrrolidine(thi)ones Substituted by Heterocyclic Substituents in The 3-Position GRUENENTHAL GMBH (DE) 2008-11-27 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-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 GRM4 3265/4885RAPGEF4 2844/4885RAPGEF3 2870/4885
US-20080293749-A1 Pyrrolidine(thi)ones Substituted by Heterocyclic Substituents in The 3-Position TPMT, MALT1, THPO GRM4 3001/4885RAPGEF4 2429/4885RAPGEF3 1225/4885

“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.