SCHEMBL1752485

SCHEMBL1752485

CN(C)/C=N\c1c(I)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 15/20 0.45
GABRA2 P47869 12/20 0.45
GABRB2 P47870 12/20 0.45
GABRP O00591 10/20 0.45
GABRD O14764 10/20 0.45
GABRA1 P14867 10/20 0.45
GABRB1 P18505 10/20 0.45
GABRG2 P18507 10/20 0.45
GABRA5 P31644 10/20 0.45
GABRA3 P34903 10/20 0.45
GABRA4 P48169 10/20 0.45
GABRE P78334 10/20 0.45
GABRA6 Q16445 10/20 0.45
GABRG1 Q8N1C3 10/20 0.45
GABRG3 Q99928 10/20 0.45
GABRQ Q9UN88 10/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL1752486 1.00 GABRB3 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2003645 0.88 ALDH1A1 (0.35) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2003643 0.88 ALDH1A1 (0.35) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3114903 0.87 GABRP (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3114899 0.87 GABRP (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL1752313 0.87 ALDH1A1 (0.34) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL1752314 0.87 ALDH1A1 (0.34) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL1752568 0.87 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL1751760 0.87 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL1751762 0.87 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD

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-7968584-B2 Substituted arylpyrazoles PFIZER INC. (US) 2011-06-28 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
EP-1893581-B1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LTD (GB) 2010-01-27 EP disclosed
US-20090312371-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER INC. (US) 2009-07-23 US disclosed
US-20090137524-A1 SUBSTITUTED ARYLPYRAZOLES ZOETIS SERVICES LLC 2009-05-28 US disclosed
US-7538134-B2 Substituted arylpyrazoles PFIZER INC. (US) 2009-05-26 US disclosed
US-7514464-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2009-04-07 US 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
US-20060287365-A1 Substituted arylpyrazoles ZOETIS LLC 2006-12-21 US 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

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-20090137524-A1 SUBSTITUTED ARYLPYRAZOLES CYP4X1, EPX, CYP2C9 GABRB3 1185/4885GABRA2 1880/4885GABRB2 1662/4885
US-20060287365-A1 Substituted arylpyrazoles CYP3A4, CYP3A43, CYP4B1 GABRB3 281/4885GABRA2 366/4885GABRB2 660/4885
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 GABRB3 281/4885GABRA2 366/4885GABRB2 660/4885
US-20110196011-A1 SUBSTITUTED ARYLPYRAZOLES CYP4X1, EPX, CYP2C9 GABRB3 1185/4885GABRA2 1880/4885GABRB2 1662/4885
US-20050148649-A1 Substituted arylpyrazoles CYP3A4, CYP4B1, CYP1B1 GABRB3 454/4885GABRA2 527/4885GABRB2 755/4885
US-20060014802-A1 Substituted arylpyrazoles CYP4X1, ARG1, CYP2C9 GABRB3 985/4885GABRA2 2134/4885GABRB2 1487/4885
US-20090312371-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A43, CYP3A4, CYP4X1 GABRB3 533/4885GABRA2 693/4885GABRB2 765/4885

“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.