SCHEMBL1752476

SCHEMBL1752476

N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C1(C#N)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 20/20 0.58
GABRD O14764 20/20 0.58
GABRA1 P14867 20/20 0.58
GABRB1 P18505 20/20 0.58
GABRG2 P18507 20/20 0.58
GABRB3 P28472 20/20 0.58
GABRA5 P31644 20/20 0.58
GABRA3 P34903 20/20 0.58
GABRA2 P47869 20/20 0.58
GABRB2 P47870 20/20 0.58
GABRA4 P48169 20/20 0.58
GABRE P78334 20/20 0.58
GABRA6 Q16445 20/20 0.58
GABRG1 Q8N1C3 20/20 0.58
GABRG3 Q99928 20/20 0.58
GABRQ Q9UN88 20/20 0.58
NR1I2 O75469 1/20 0.58
LMNA P02545 1/20 0.58
CYP3A4 P08684 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL6344996 0.86 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6055732 0.86 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752006 0.84 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2005138 0.84 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1382181 0.83 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2000291 0.83 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
Sisapronil SCHEMBL1382428 0.83 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751738 0.83 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751334 0.83 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751094 0.83 GABRP (0.57) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968584-B2 Substituted arylpyrazoles PFIZER INC. (US) 2011-06-28 US claimed
EP-1893581-B1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LTD (GB) 2010-01-27 EP claimed
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER INC. (US) 2009-07-23 US claimed
US-7538134-B2 Substituted arylpyrazoles PFIZER INC. (US) 2009-05-26 US claimed
EP-1893581-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES Pfizer Limited (GB) 2008-03-05 EP claimed
US-20060287365-A1 Substituted arylpyrazoles ZOETIS LLC 2006-12-21 US claimed
WO-2006134468-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LIMITED (GB) 2006-12-21 WO claimed
US-7968584-B2 Substituted arylpyrazoles PFIZER INC. (US) 2011-06-28 US disclosed
EP-1893581-B1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LTD (GB) 2010-01-27 EP disclosed
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER INC. (US) 2009-07-23 US disclosed
US-7538134-B2 Substituted arylpyrazoles PFIZER INC. (US) 2009-05-26 US disclosed
US-20080146643-A1 COMBINATION PFIZER LIMITED (GB) 2008-06-19 US disclosed
WO-2008072077-A2 COMBINATION OF 1-ARYL-4-CYCLOPROPYLPYRAZOLES WITH ANTHELMINTIC AGENT FOR PARASITIC INFESTATION PFIZER LIMITED (GB) 2008-06-19 WO disclosed
EP-1893581-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES Pfizer Limited (GB) 2008-03-05 EP disclosed
US-20070149464-A1 COMBINATION PFIZER INC. (US) 2007-06-28 US disclosed
US-20060287365-A1 Substituted arylpyrazoles ZOETIS LLC 2006-12-21 US disclosed
WO-2006134468-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LIMITED (GB) 2006-12-21 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 (4 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-20080146643-A1 COMBINATION PIGO, EPX, PIGS GABRP 330/4885GABRD 845/4885GABRA1 1015/4885
US-20060287365-A1 Substituted arylpyrazoles CYP3A4, CYP3A43, CYP4B1 GABRP 575/4885GABRD 888/4885GABRA1 285/4885
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 GABRP 575/4885GABRD 888/4885GABRA1 285/4885
US-20070149464-A1 COMBINATION PIGO, EPX, PIGS GABRP 330/4885GABRD 845/4885GABRA1 1015/4885

“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.