SCHEMBL1751986

SCHEMBL1751986

CCOC(=O)Nc1c(C2(C(=O)O)CC2)c(C#N)nn1-c1c(Cl)cc(OC(F)(F)F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
AR P10275 1/20 0.32
P2RY12 Q9H244 3/20 0.32
P2RY1 P47900 2/20 0.31
CHEK1 O14757 1/20 0.31

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
SCHEMBL1752381 0.93 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4980552 0.88 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752362 0.87 SMN1; SMN2 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2637835 0.84 GABRP (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12528509 0.83 GABRB3 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751443 0.83 GABRB3 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751546 0.81 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3559661 0.80 FFAR4 (0.32) CHEK1FFAR4
SCHEMBL1752112 0.79 GABRP (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752229 0.79 SMN1; SMN2 (0.32) 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 5 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
US-20060287365-A1 Substituted arylpyrazoles ZOETIS LLC 2006-12-21 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 (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 GABRP 575/4885GABRD 888/4885GABRA1 285/4885
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 GABRP 575/4885GABRD 888/4885GABRA1 285/4885

“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.