SCHEMBL4032749

SCHEMBL4032749

COCc1nn2c(Br)cccc2c1NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.37
BRD4 O60885 11/20 0.37
BRD9 Q9H8M2 1/20 0.36
NQO2 P16083 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
LCK P06239 2/20 0.34
SCN9A Q15858 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL4032290 0.89 BRD4 (0.36) ATRBRD4BRD9MEN1NPC1
SCHEMBL14282119 0.87 ATR (0.37) ATRBRD4BRD9NQO2MEN1
SCHEMBL4040564 0.83 LCK (0.42) ATRBRD4BRD9MEN1NPC1
SCHEMBL1943636 0.83 ATR (0.39) ATRBRD4BRD9MEN1NPC1
SCHEMBL1941286 0.80 BRD4 (0.36) ATRBRD4BRD9MEN1NPC1
SCHEMBL4035300 0.79 CRHR1 (0.45) BRD4GAA
SCHEMBL4040971 0.74 CRHR1 (0.49)
SCHEMBL4033910 0.72 GAA (0.36) MEN1GAAKMT2A
SCHEMBL30860785 0.72 LCK (0.42) ATRBRD4BRD9MEN1NPC1
SCHEMBL4035343 0.70 CRHR1 (0.49) BRD4BRD9GAA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1555265-B1 7-PHENYL PYRAZOLOPYRIDINE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2009-03-25 EP disclosed
EP-1555265-B1 7-PHENYL PYRAZOLOPYRIDINE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2009-03-25 EP disclosed
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS HIBI SHIGEKI 2008-03-27 US disclosed
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS HIBI SHIGEKI 2008-03-27 US disclosed
US-7323569-B2 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-29 US disclosed
US-7323569-B2 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-29 US disclosed
US-7176216-B2 7-phenylpyrazolopyridine compounds EISAI CO., LTD. (JP) 2007-02-13 US disclosed
US-7176216-B2 7-phenylpyrazolopyridine compounds EISAI CO., LTD. (JP) 2007-02-13 US disclosed
US-7176216-B2 7-phenylpyrazolopyridine compounds EISAI CO., LTD. (JP) 2007-02-13 US disclosed
US-20060235011-A1 7-Phenyl pyrazolopyridine compounds EISAI CO.LTD. (JP) 2006-10-19 US disclosed
EP-1555265-A1 7-PHENYL PYRAZOLOPYRIDINE COMPOUNDS Eisai Co., Ltd. (JP) 2005-07-20 EP disclosed
US-20040224974-A1 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-11-11 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 (3 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-20040224974-A1 7-phenylpyrazolopyridine compounds CRHR1, MC2R, CRH ATR 2985/4885BRD4 621/4885BRD9 1619/4885
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS MC2R, CRHR1, CRHR2 ATR 3145/4885BRD4 557/4885BRD9 1421/4885
US-20060235011-A1 7-Phenyl pyrazolopyridine compounds MC2R, CRHR1, CRHR2 ATR 2993/4885BRD4 618/4885BRD9 1278/4885

“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.