SCHEMBL2004509

SCHEMBL2004509

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 14/20 0.43
GABRD O14764 14/20 0.43
GABRA1 P14867 14/20 0.43
GABRB1 P18505 14/20 0.43
GABRG2 P18507 14/20 0.43
GABRB3 P28472 14/20 0.43
GABRA5 P31644 14/20 0.43
GABRA3 P34903 14/20 0.43
GABRA2 P47869 14/20 0.43
GABRB2 P47870 14/20 0.43
GABRA4 P48169 14/20 0.43
GABRE P78334 14/20 0.43
GABRA6 Q16445 14/20 0.43
GABRG1 Q8N1C3 14/20 0.43
GABRG3 Q99928 14/20 0.43
GABRQ Q9UN88 14/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL2004510 1.00 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3112325 0.90 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3112330 0.90 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1998488 0.89 GABRB3 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1998490 0.89 GABRB3 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2006734 0.88 GABRB3 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2006735 0.88 GABRB3 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2003630 0.88 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2003631 0.88 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2002153 0.88 GABRP (0.45) 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 10 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-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-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-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 (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-20090137524-A1 SUBSTITUTED ARYLPYRAZOLES CYP4X1, EPX, CYP2C9 GABRP 1847/4885GABRD 2228/4885GABRA1 1260/4885
US-20050148649-A1 Substituted arylpyrazoles CYP3A4, CYP4B1, CYP1B1 GABRP 982/4885GABRD 1657/4885GABRA1 455/4885
US-20060014802-A1 Substituted arylpyrazoles CYP4X1, ARG1, CYP2C9 GABRP 2045/4885GABRD 1741/4885GABRA1 1389/4885
US-20090312371-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A43, CYP3A4, CYP4X1 GABRP 675/4885GABRD 1285/4885GABRA1 648/4885

“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.