SCHEMBL4033910

SCHEMBL4033910

CCc1nn2c(Br)cccc2c1NC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
SLC22A12 Q96S37 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.33
GRM5 P41594 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4040645 0.74 HDAC1 (0.43) GAAMAPTLMNACYP3A4CYP2D6
SCHEMBL1944929 0.74 CRHR1 (0.46) GAAMAPTLMNAHTTNPSR1
SCHEMBL4041236 0.73 GRM2 (0.32) GAALMNACYP2D6HTTKDM4E
SCHEMBL22194219 0.71 LMNA (0.36) GAALMNANPSR1PTGDR2KMT2A
SCHEMBL4038731 0.71 CRHR1 (0.54)
SCHEMBL1942265 0.70 ALDH1A1 (0.35) MAPTLMNACYP3A4CYP2D6CYP2C9
SCHEMBL27228493 0.68 MAPT (0.34) MAPTLMNAHTTTP53SMN1; SMN2
SCHEMBL31277480 0.68 ALDH1A1 (0.53) GAAMAPTLMNACYP3A4CYP2D6
SCHEMBL20345576 0.67 SLC22A12 (0.39) GAASLC22A12MAPTLMNACYP2C9
SCHEMBL22194289 0.67 PTGDR2 (0.36) MAPTLMNAHTTPTGDR2MEN1

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 7 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
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-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 GAA 4828/4885SLC22A12 4007/4885MAPT 2221/4885
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS MC2R, CRHR1, CRHR2 GAA 4857/4885SLC22A12 3213/4885MAPT 1497/4885
US-20060235011-A1 7-Phenyl pyrazolopyridine compounds MC2R, CRHR1, CRHR2 GAA 4869/4885SLC22A12 3253/4885MAPT 1617/4885

“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.