SCHEMBL4713595

SCHEMBL4713595

CS(=O)(=O)N1CCc2[nH]nc(-c3ccc(Br)cc3)c2C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.50
MAPK1 P28482 2/20 0.49
MAPK3 P27361 1/20 0.49
MAP2K1 Q02750 1/20 0.49
FLT3 P36888 1/20 0.48
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
HMOX1 P09601 1/20 0.43

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
SCHEMBL9889385 0.89 MAPT (0.55) METMAPK1MAPK3MAP2K1FLT3
SCHEMBL5257069 0.88 MAPK1 (0.63) METMAPK1MAPK3MAP2K1FLT3
SCHEMBL2972760 0.84 RBP4 (0.52) METMAPK1MAPK3MAP2K1FLT3
SCHEMBL4532938 0.79 MET (0.50) METMAPK1MAPK3MAP2K1FLT3
SCHEMBL4080008 0.78 HMOX1 (0.49) METMAPK1MAPK3MAP2K1FLT3
SCHEMBL2979198 0.78 MAPK1 (0.78) MAPK1BRD4CREBBP
SCHEMBL4093739 0.77 HMOX1 (0.50) METMAPK1MAPK3MAP2K1FLT3
SCHEMBL5126874 0.77 HMOX1 (0.52) METMAPK1MAPK3MAP2K1FLT3
SCHEMBL4083458 0.75 HMOX1 (0.51) METMAPK1MAPK3MAP2K1FLT3
SCHEMBL4527352 0.74 HMOX1 (0.51) METMAPK1MAPK3MAP2K1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315490-B1 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2008-11-12 EP disclosed
US-20070117785-A1 Substituted pyrazoles and methods of treatment with substituted pyrazoles JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US disclosed
EP-1309593-B1 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2006-03-15 EP disclosed
US-20050245576-A1 Substituted pyrazoles BUTLER CHRISTOPHER R 2005-11-03 US disclosed
US-6953793-B2 Substituted pyrazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-10-11 US disclosed
US-20050101587-A9 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICALS, INC. 2005-05-12 US disclosed
US-6583155-B2 Administering 2-(1-(3-(5-Acetyl-3-(4-chloro-phenyl)-4,5,6,7-tetrahydro-pyrazolo-(4,3 -c)pyridin-1-yl)-2-hydroxy-propyl)-piperidin-4-ylamino)-benzonitrile for inhibiting cathepsins; for treating atopic diseases ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-24 US disclosed
EP-1315490-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-04 EP disclosed
EP-1309593-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP disclosed
US-20030078419-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-04-24 US disclosed
US-20020115656-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-08-22 US disclosed
US-20020055497-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-05-09 US disclosed
WO-2002020011-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO disclosed
WO-2002014315-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 (6 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-20050245576-A1 Substituted pyrazoles CTSS, CTSZ, CTSV MET 4506/4885MAPK1 4426/4885MAPK3 3267/4885
US-20030078419-A1 Substituted pyrazoles CTSS, CTSZ, CTSV MET 4506/4885MAPK1 4426/4885MAPK3 3267/4885
US-20020115656-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 MET 3245/4885MAPK1 4370/4885MAPK3 2690/4885
US-20050101587-A9 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 MET 3245/4885MAPK1 4370/4885MAPK3 2690/4885
US-20020055497-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 MET 3245/4885MAPK1 4370/4885MAPK3 2690/4885
US-20070117785-A1 Substituted pyrazoles and methods of treatment with substituted pyrazoles CTSS, CMA1, CTSZ MET 3970/4885MAPK1 3828/4885MAPK3 2541/4885

“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.