SCHEMBL2005133

SCHEMBL2005133

CCOC(=O)c1cc(N)n(-c2c(F)cc(C(F)(F)F)cc2F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRA4 P48169 2/20 0.47
GABRE P78334 2/20 0.47
GABRA6 Q16445 2/20 0.47
GABRG1 Q8N1C3 2/20 0.47
GABRG3 Q99928 2/20 0.47
GABRQ Q9UN88 2/20 0.47
TP53 P04637 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 4/20 0.41
NPC1 O15118 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
SCHEMBL7713193 0.87 GABRB3 (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3700705 0.84 TP53 (0.53) TP53GAAMAPTNPC1RAB9A
SCHEMBL14357210 0.82 ADORA1 (0.53) TP53GAAMAPTNPC1RAB9A
SCHEMBL1998899 0.81 SCN9A (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2836888 0.81 GABRB3 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6586118 0.79 MAPT (0.57) GAAMAPTSMN1; SMN2THRBKMT2A
SCHEMBL12099796 0.76 NPSR1 (0.56) TP53GAAMAPTNPC1RAB9A
SCHEMBL14357211 0.75 SLC5A1 (0.50) TP53GAAMAPTTHRBKMT2A
SCHEMBL4701523 0.75 CHRNA7 (0.62) GABRA2GABRB2TP53GAAMAPT
SCHEMBL2835031 0.73 GABRB3 (0.49) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084486-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-12-27 US disclosed
US-20110196011-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2011-08-11 US disclosed
US-7960426-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-06-14 US disclosed
US-7902232-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-03-08 US disclosed
US-20090312371-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-20090137524-A1 SUBSTITUTED ARYLPYRAZOLES ZOETIS SERVICES LLC 2009-05-28 US disclosed
US-7514464-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2009-04-07 US disclosed
EP-1705989-B8 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS PFIZER LTD (GB) 2009-03-25 EP disclosed
EP-1705989-B1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS PFIZER LTD (GB) 2008-11-12 EP disclosed
US-7435753-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2008-10-14 US disclosed
EP-1901608-A1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS Pfizer Limited (GB) 2008-03-26 EP disclosed
WO-2006134466-A1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS PFIZER LIMITED (GB) 2006-12-21 WO disclosed
EP-1705989-A1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS Pfizer Limited (GB) 2006-10-04 EP disclosed
US-20060014802-A1 Substituted arylpyrazoles ZOETIS SERVICES LLC 2006-01-19 US disclosed
US-20050148649-A1 Substituted arylpyrazoles ZOETIS SERVICES LLC 2005-07-07 US disclosed
WO-2005060749-A1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS PFIZER LIMITED (GB) 2005-07-07 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 (5 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-20090137524-A1 SUBSTITUTED ARYLPYRAZOLES CYP4X1, EPX, CYP2C9 GABRP 1847/4885GABRD 2228/4885GABRA1 1260/4885
US-20110196011-A1 SUBSTITUTED ARYLPYRAZOLES CYP4X1, EPX, CYP2C9 GABRP 1847/4885GABRD 2228/4885GABRA1 1260/4885
US-20050148649-A1 Substituted arylpyrazoles CYP3A4, CYP4B1, CYP1B1 GABRP 982/4885GABRD 1657/4885GABRA1 455/4885
US-20060014802-A1 Substituted arylpyrazoles CYP4X1, ARG1, CYP2C9 GABRP 2045/4885GABRD 1741/4885GABRA1 1389/4885
US-20090312371-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A43, CYP3A4, CYP4X1 GABRP 675/4885GABRD 1285/4885GABRA1 648/4885

“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.