SCHEMBL4767779

SCHEMBL4767779

c1cc2cc(N3CCOCC3)ncc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
PIK3CA P42336 6/20 0.46
MTOR P42345 4/20 0.46
ATR Q13535 3/20 0.46
CYP2C9 P11712 3/20 0.46
JAK2 O60674 1/20 0.45
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
PIK3CG P48736 1/20 0.44
PRKDC P78527 1/20 0.44
TDO2 P48775 1/20 0.43
MAP3K11 Q16584 1/20 0.43
CNR2 P34972 1/20 0.43
ATRIP Q8WXE1 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL4775512 0.88 PIK3CA (0.47) MAPTPIK3CAMTORATRCYP2C9
SCHEMBL3958927 0.83 MAP3K11 (0.52) MAPTCYP2C9PIM1PIM3PIM2
SCHEMBL18256867 0.77 TDO2 (0.46) MAPTPIK3CAATRCYP2C9PIM1
SCHEMBL1310236 0.75 PIK3CA (0.59) PIK3CAMTORATRCYP2C9JAK2
SCHEMBL16835984 0.74 PIK3CA (0.48) MAPTPIK3CAMTORATRCYP2C9
SCHEMBL442575 0.73 JAK2 (0.56) MAPTPIK3CAMTORATRCYP2C9
SCHEMBL30619464 0.73 JAK2 (0.56) MAPTPIK3CAMTORATRCYP2C9
SCHEMBL4243835 0.73 KDM4E (0.48) PIK3CAMTORCYP2C9ALDH1A1CYP1A2
SCHEMBL22576432 0.72 CKS1B (0.42) MAPTJAK2TDO2HPGDJAK3
SCHEMBL22734977 0.72 HRH3 (0.42) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315492-B1 USE OF SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF ALLERGIES ORTHO MCNEIL PHARM INC (US) 2008-07-30 EP disclosed
US-7265102-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-04 US disclosed
EP-1309592-B9 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2007-02-28 EP disclosed
EP-1309592-B1 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2006-04-26 EP disclosed
US-20050234102-A1 Substituted pyrazoles CAI HUI 2005-10-20 US disclosed
US-6951851-B2 Substituted pyrazoles CAI HUI 2005-10-04 US disclosed
US-6949540-B2 Substituted pyrazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-09-27 US disclosed
US-6936603-B2 Substituted pyrazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-08-30 US disclosed
US-20040044027-A1 Substituted pyrazoles CAI HUI (US) 2004-03-04 US disclosed
US-20030229075-A1 Substituted pyrazoles CAI HUI (US) 2003-12-11 US disclosed
US-20030225063-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-12-04 US disclosed
US-20030225062-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-12-04 US disclosed
US-6635633-B2 Substituted pyrazoles ORTHO-PHARMACEUTICAL, INC. 2003-10-21 US disclosed
US-6579896-B2 Immunology response; autoimmune disease ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-17 US disclosed
EP-1315492-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho McNeil Pharmaceutical, Inc. (US) 2003-06-04 EP disclosed
EP-1309592-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP disclosed
US-20020147189-A1 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-10-10 US disclosed
US-20020040019-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 US disclosed
WO-2002020013-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO disclosed
WO-2002014317-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 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 (7 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-20030225062-A1 Substituted pyrazoles CTSS, CTSZ, CTSV MAPT 3187/4885PIK3CA 2404/4885MTOR 2440/4885
US-20030229075-A1 Substituted pyrazoles CTSS, CTSZ, CTSV MAPT 3187/4885PIK3CA 2404/4885MTOR 2440/4885
US-20020040019-A1 Substituted pyrazoles CTSS, CTSZ, CTSV MAPT 3187/4885PIK3CA 2404/4885MTOR 2440/4885
US-20040044027-A1 Substituted pyrazoles CTSS, CTSZ, CTSV MAPT 3187/4885PIK3CA 2404/4885MTOR 2440/4885
US-20030225063-A1 Substituted pyrazoles CTSS, CTSZ, CTSV MAPT 3187/4885PIK3CA 2404/4885MTOR 2440/4885
US-20020147189-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 MAPT 3021/4885PIK3CA 2869/4885MTOR 3596/4885
US-20050234102-A1 Substituted pyrazoles CTSS, CTSZ, CTSV MAPT 3187/4885PIK3CA 2404/4885MTOR 2440/4885

“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.