SCHEMBL2583189

SCHEMBL2583189

Ic1ccc(-c2c[nH]nc2OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.46
GSTP1 P09211 2/20 0.41
SQOR Q9Y6N5 1/20 0.41
CNR1 P21554 2/20 0.40
PDE5A O76074 1/20 0.38
MPO P05164 1/20 0.38
TPO P07202 1/20 0.38
CYP3A4 P08684 1/20 0.38
EPX P11678 1/20 0.38
MGMT P16455 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
IKBKE Q14164 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1386673 0.89 SQOR (0.49) GSTP1SQORCNR1PDE5AMPO
SCHEMBL2581949 0.85 CNR1 (0.54) GSTP1SQORCNR1NPSR1
SCHEMBL2578293 0.85 L3MBTL1 (0.44) GSTP1SQORCNR1PDE5AMPO
SCHEMBL1386549 0.85 LMNA (0.43) GSTP1SQORCNR1PDE5AMPO
SCHEMBL1384589 0.85 GSTP1 (0.41) GSTP1SQORCNR1PDE5AMPO
SCHEMBL2582090 0.84 CYP11B1 (0.46) GSTP1SQORPDE5AMPOTPO
SCHEMBL2576556 0.80 SCN10A (0.47) GSTP1IKBKEALDH1A1LMNAHTT
SCHEMBL1387084 0.80 CYP19A1 (0.52) CNR1MGMTLMNANPSR1
SCHEMBL1384893 0.80 PARP10 (0.56) CNR1CDC7
SCHEMBL2582838 0.79 KCNH2 (0.45) GSTP1SQORCNR1DYRK1ADYRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048893-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2011-11-01 US disclosed
CN-102174017-A Pyrazolyl derivatives in the form of drugs for treating acute or chronic neuronal regressions AVENTIS PHARMA SA 2011-09-07 CN disclosed
US-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2009-07-02 US disclosed
US-7524838-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2009-04-28 US disclosed
EP-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 EP disclosed
CN-1906172-A Pyrazole derivatives as medicaments for the treatment of acute or chronic neuronal degeneration AVENTIS PHARMA SA (FR) 2007-01-31 CN disclosed
EP-1689720-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS Aventis Pharma S.A. (FR) 2006-08-16 EP disclosed
WO-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO disclosed
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2005-07-28 US disclosed
WO-2005051917-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA S.A. (FR) 2005-06-09 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 (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-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C1R, CBR3, C3AR1 APP 3793/4885GSTP1 3701/4885SQOR 2350/4885
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them C1R, CBR3, C3AR1 APP 3874/4885GSTP1 3682/4885SQOR 2334/4885

“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.