SCHEMBL2004548

SCHEMBL2004548

N#Cc1nn(-c2c(F)cc(C(F)(F)F)cc2F)c(N)c1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 14/20 0.48
GABRB2 P47870 14/20 0.48
GABRP O00591 13/20 0.48
GABRD O14764 13/20 0.48
GABRA1 P14867 13/20 0.48
GABRB1 P18505 13/20 0.48
GABRG2 P18507 13/20 0.48
GABRB3 P28472 13/20 0.48
GABRA5 P31644 13/20 0.48
GABRA3 P34903 13/20 0.48
GABRA4 P48169 13/20 0.48
GABRE P78334 13/20 0.48
GABRA6 Q16445 13/20 0.48
GABRG1 Q8N1C3 13/20 0.48
GABRG3 Q99928 13/20 0.48
GABRQ Q9UN88 13/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL2001805 0.85 GABRA2 (0.65) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL1378247 0.77 GABRP (0.43) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL2834347 0.75 GABRP (0.56) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL2003645 0.75 ALDH1A1 (0.35) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL2003643 0.75 ALDH1A1 (0.35) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL1997629 0.74 GABRP (0.42) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL6965080 0.74 GABRP (0.47) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL2837417 0.73 GABRP (0.54) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL2834349 0.73 GABRP (0.54) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL2836959 0.73 GABRP (0.54) GABRA2GABRB2GABRPGABRDGABRA1

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 GABRA2 1880/4885GABRB2 1662/4885GABRP 1847/4885
US-20110196011-A1 SUBSTITUTED ARYLPYRAZOLES CYP4X1, EPX, CYP2C9 GABRA2 1880/4885GABRB2 1662/4885GABRP 1847/4885
US-20050148649-A1 Substituted arylpyrazoles CYP3A4, CYP4B1, CYP1B1 GABRA2 527/4885GABRB2 755/4885GABRP 982/4885
US-20060014802-A1 Substituted arylpyrazoles CYP4X1, ARG1, CYP2C9 GABRA2 2134/4885GABRB2 1487/4885GABRP 2045/4885
US-20090312371-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A43, CYP3A4, CYP4X1 GABRA2 693/4885GABRB2 765/4885GABRP 675/4885

“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.