SCHEMBL2966970

SCHEMBL2966970

Cc1cc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)ccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ESR2 Q92731 1/20 0.43
HMOX1 P09601 1/20 0.41
MET P08581 6/20 0.41
C5AR1 P21730 1/20 0.40
NR1H2 P55055 1/20 0.40

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
SCHEMBL4030200 0.89 MAPK1 (0.48) MAPK1BRD4CREBBPNPC1ALDH1A1
SCHEMBL4713062 0.86 MAPK1 (0.67) MAPK1BRD4CREBBPNPC1ALDH1A1
SCHEMBL1336775 0.84 MAPK1 (0.56) MAPK1BRD4CREBBPNPC1ESR2
SCHEMBL2073836 0.83 MAPK1 (0.49) MAPK1BRD4CREBBPNPC1HMOX1
SCHEMBL4712216 0.83 MAPK1 (0.56) MAPK1BRD4CREBBPNPC1ESR2
SCHEMBL4762437 0.83 MAPK1 (0.72) MAPK1BRD4CREBBPNPC1
SCHEMBL2975661 0.83 MAPK1 (0.56) MAPK1BRD4CREBBPNPC1ESR2
SCHEMBL10095067 0.82 BRD4 (0.67) MAPK1BRD4CREBBPNPC1
SCHEMBL10211781 0.81 MAPK1 (0.55) MAPK1BRD4CREBBPNPC1
SCHEMBL2977256 0.81 MAPK1 (0.57) MAPK1BRD4CREBBPNPC1MAPT

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 MAPK1 4519/4885BRD4 605/4885CREBBP 2922/4885
US-20080300255-A1 Substituted pyrazoles CTSS, CTSZ, CTSB MAPK1 4519/4885BRD4 605/4885CREBBP 2922/4885
US-20070004738-A1 Substituted pyrazoles CTSS, CTSZ, CTSB MAPK1 4519/4885BRD4 605/4885CREBBP 2922/4885
US-20030069240-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 MAPK1 4370/4885BRD4 140/4885CREBBP 1005/4885
US-20030073672-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 MAPK1 4370/4885BRD4 140/4885CREBBP 1005/4885
US-20070004754-A1 Substituted pyrazoles CTSS, CTSZ, CTSB MAPK1 4519/4885BRD4 605/4885CREBBP 2922/4885
US-20020040020-A1 Substituted pyrazoles CTSS, CTSZ, CTSV MAPK1 4426/4885BRD4 866/4885CREBBP 3211/4885

“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.