Sugi Predict

Sugi Predict / Compounds / SCHEMBL2977256

SCHEMBL2977256

SCHEMBL2977256

CC(C)(C)OC(=O)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2C1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.57
▸ BRD4 O60885 2/20 0.51
▸ CREBBP Q92793 2/20 0.51
▸ NPC1 O15118 1/20 0.48
▸ EP300 Q09472 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ CTSS P25774 2/20 0.43
▸ DPP4 P27487 1/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ DPP9 Q86TI2 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.42
▸ P2RX7 Q99572 2/20 0.42

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
SCHEMBL29844187 0.90 MAPK1 (0.47) MAPK1BRD4CREBBPNPC1MAPT
SCHEMBL4762437 0.89 MAPK1 (0.72) MAPK1BRD4CREBBPNPC1EP300
SCHEMBL10211781 0.88 MAPK1 (0.55) MAPK1BRD4CREBBPNPC1P2RX7
SCHEMBL4712216 0.87 MAPK1 (0.56) MAPK1BRD4CREBBPNPC1DPP4
SCHEMBL2975661 0.87 MAPK1 (0.56) MAPK1BRD4CREBBPNPC1DPP4
SCHEMBL10095067 0.87 BRD4 (0.67) MAPK1BRD4CREBBPNPC1EP300
SCHEMBL2969795 0.86 MAPK1 (0.77) MAPK1BRD4CREBBPNPC1EP300
SCHEMBL1337440 0.85 MAPK1 (0.45) MAPK1BRD4CREBBPNPC1EP300
SCHEMBL1336775 0.84 MAPK1 (0.56) MAPK1BRD4CREBBPNPC1EP300
SCHEMBL4085391 0.83 MAPK1 (0.48) MAPK1BRD4CREBBPNPC1EP300

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 41 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
EP-1315490-B1 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2008-11-12 — — EP 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-20030078419-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-04-24 — — US 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-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
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-2002020011-A2 A 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
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 (8 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-20030078419-A1 Substituted pyrazoles CTSS, CTSZ, CTSV MAPK1 4426/4885BRD4 866/4885CREBBP 3211/4885
US-20080300255-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-20020115656-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-20020055497-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 MAPK1 4370/4885BRD4 140/4885CREBBP 1005/4885
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.