SCHEMBL2967229

SCHEMBL2967229

CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(=O)CN2CCN(c3ccccc3C)CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 6/20 0.57
▸ CTSS P25774 12/20 0.54
▸ CD74 P04233 2/20 0.52
▸ CREBBP Q92793 1/20 0.48
▸ TRPM2 O94759 1/20 0.46

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
SCHEMBL2978914 0.90 CTSS (0.68) KCNK3CTSSCREBBP
SCHEMBL2981268 0.88 CTSS (0.71) KCNK3CTSSCD74
SCHEMBL2974040 0.84 CTSS (0.61) KCNK3CTSSCD74
SCHEMBL2980179 0.84 CTSS (0.56) KCNK3CTSSCD74
SCHEMBL2969446 0.80 CTSS (0.51) KCNK3CTSSCD74
SCHEMBL2978764 0.79 CTSS (0.63) KCNK3CTSSCD74
SCHEMBL2973994 0.79 CTSS (0.70) KCNK3CTSSCD74
SCHEMBL2974992 0.79 CTSS (0.82) KCNK3CTSSCD74
SCHEMBL8408387 0.79 CTSS (0.76) CTSSCD74
SCHEMBL2985132 0.79 CTSS (0.82) KCNK3CTSSCD74

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772236-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2010-08-10 — — US disclosed
US-7589202-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2009-09-15 — — US disclosed
US-20080300255-A1 Substituted pyrazoles BEAVERS MARY PAT 2008-12-04 — — US disclosed
US-20080293732-A1 Substituted pyrazoles BEAVERS MARY PAT 2008-11-27 — — US disclosed
US-7452890-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-11-18 — — US disclosed
US-7429591-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-09-30 — — US disclosed
US-7417046-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-08-26 — — US disclosed
US-7393850-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-01 — — US disclosed
US-7388011-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-06-17 — — US disclosed
US-7332494-B2 Method for treating allergies using substituted pyrazoles JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-19 — — US disclosed
US-20070004738-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2007-01-04 — — US disclosed
US-20070004754-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2007-01-04 — — US disclosed
EP-1315491-B1 USE OF SUBSTITUTED PYRAZOLES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF ALLERGIES ORTHO MCNEIL PHARM INC (US) 2006-08-09 — — EP disclosed
EP-1315491-A2 METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-04 — — EP disclosed
EP-1309591-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 — — EP disclosed
US-20030073672-A1 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-04-17 — — US disclosed
US-20030069240-A1 Method for treating allergies using substituted pyrazoles JANSSEN PHARMACEUTICA N.V. (BE) 2003-04-10 — — US disclosed
US-20020040020-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 — — US disclosed
WO-2002020012-A2 METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 — — WO disclosed
WO-2002014314-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-20080293732-A1 Substituted pyrazoles CTSS, CTSZ, CTSB KCNK3 2071/4885CTSS 1/4885CD74 80/4885
US-20080300255-A1 Substituted pyrazoles CTSS, CTSZ, CTSB KCNK3 2071/4885CTSS 1/4885CD74 80/4885
US-20070004738-A1 Substituted pyrazoles CTSS, CTSZ, CTSB KCNK3 2071/4885CTSS 1/4885CD74 80/4885
US-20030069240-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 KCNK3 346/4885CTSS 294/4885CD74 519/4885
US-20030073672-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 KCNK3 346/4885CTSS 294/4885CD74 519/4885
US-20070004754-A1 Substituted pyrazoles CTSS, CTSZ, CTSB KCNK3 2071/4885CTSS 1/4885CD74 80/4885
US-20020040020-A1 Substituted pyrazoles CTSS, CTSZ, CTSV KCNK3 2182/4885CTSS 1/4885CD74 125/4885

“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.

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