SCHEMBL1751409

SCHEMBL1751409

CNc1c(C2(C(=O)O)CC2(F)F)c(C#N)nn1-c1c(Cl)cc(OC(F)(F)F)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32

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
SCHEMBL1752113 0.92 GABRP (0.33) SMN1; SMN2GABRPGABRDNR1I2LMNA
SCHEMBL1752362 0.87 SMN1; SMN2 (0.33) SMN1; SMN2GABRPGABRDNR1I2LMNA
SCHEMBL3559661 0.85 FFAR4 (0.32) CHEK1
SCHEMBL3560242 0.84 GABRP (0.33) SMN1; SMN2GABRPGABRDNR1I2LMNA
SCHEMBL1752229 0.83 SMN1; SMN2 (0.32) SMN1; SMN2GABRPGABRDNR1I2LMNA
SCHEMBL1752112 0.83 GABRP (0.34) SMN1; SMN2GABRPGABRDNR1I2LMNA
SCHEMBL1751712 0.83 GABRP (0.34) SMN1; SMN2GABRPGABRDNR1I2LMNA
SCHEMBL4962548 0.81 ALDH1A1 (0.31)
SCHEMBL1752338 0.80 GABRP (0.39) SMN1; SMN2GABRPGABRDNR1I2LMNA
SCHEMBL3564170 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1893581-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES Pfizer Limited (GB) 2008-03-05 EP 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 (2 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-20060287365-A1 Substituted arylpyrazoles CYP3A4, CYP3A43, CYP4B1 SMN1; SMN2 2801/4885GABRP 575/4885GABRD 888/4885
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 SMN1; SMN2 2801/4885GABRP 575/4885GABRD 888/4885

“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.