SCHEMBL2002008

SCHEMBL2002008

N#Cc1cc(N)n(-c2c(Cl)cc(OC(F)F)cc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.36
GABRD O14764 5/20 0.36
GABRA1 P14867 5/20 0.36
GABRB1 P18505 5/20 0.36
GABRG2 P18507 5/20 0.36
GABRB3 P28472 5/20 0.36
GABRA5 P31644 5/20 0.36
GABRA3 P34903 5/20 0.36
GABRA2 P47869 5/20 0.36
GABRB2 P47870 5/20 0.36
GABRA4 P48169 5/20 0.36
GABRE P78334 5/20 0.36
GABRA6 Q16445 5/20 0.36
GABRG1 Q8N1C3 5/20 0.36
GABRG3 Q99928 5/20 0.36
GABRQ Q9UN88 5/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2003583 0.81 MAPT (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6976085 0.79 KDR (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7480496 0.77 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7239468 0.77 KDR (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL239495 0.76 GABRB3 (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2138287 0.76 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2003545 0.75 MAPT (0.33) MAPT
SCHEMBL2003544 0.75 MAPT (0.33) MAPT
SCHEMBL7489890 0.75 KDR (0.40) GABRPGABRDGABRA1GABRB1GABRG2
Ammonia Solution, Strong SCHEMBL8425567 0.75 GABRB3 (0.59) 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 31 patents — showing the first 20. 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-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-7803832-B2 N-(1-arylpyrazol-4L)sulfonamides and their use as parasiticides PFIZER INC. (US) 2010-09-28 US disclosed
US-7687533-B2 N-(1-arylpyrazol-4l) sulfonamides and their use as parasiticides PFIZER INC. (US) 2010-03-30 US disclosed
US-20100075956-A1 N-(1-ARYLPYRAZOL-4L)SULFONAMIDES AND THEIR USE AS PARASITICIDES PFIZER INC. (US) 2010-03-25 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
US-6372774-B1 THESE COMPOUNDS POSSESS ARTHROPODICIDAL, PLANT NEMATOCIDAL, ANTHELMINTIC AND ANTI-PROTOZOAL PROPERTIES RHONE-POULENC AGRICULTURE LTD. (GB) 2002-04-16 US disclosed
EP-0967206-A1 Derivatives of N-phenylpyrazoles RHONE POULENC AGRICULTURE LTD. (GB) 1999-12-29 EP disclosed
US-5916618-A PESTICIDE FOR MEDICATED FEEDSTUFF, DIETARY CONCENTRATE OR SUPPLEMENT RHONE-POULENC AGRICULTURE LTD. (GB) 1999-06-29 US disclosed
US-5714191-A PESTICIDES USED IN MEDICATED FEEDSTUFF, MINERAL SALT LICK OR EDIBLE BAIT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-02-03 US disclosed
US-5608077-A INSECTICIDES, NEMATOCIDES, ANTHELMINTICS, ANTIPROTOZOA AGENTS RHONE-POULENC AGRICULTURE LTD. (GB) 1997-03-04 US disclosed
US-5547974-A INSECTICIDES, NEMATOCIDES, ANTHELMINTICS RHONE-POULENC AGRICULTURE LTD. (GB) 1996-08-20 US disclosed
EP-0418016-B1 N-phenylpyrazole derivatives as insecticides RHONE POULENC AGRICULTURE (GB) 1995-05-03 EP disclosed
US-5232940-A Controlling insects, plant nematodes, helminths, protozoa BASF AGRO B.V., ARNHEM (NL), WADENSWIL-BRANCH (CH) 1993-08-03 US disclosed
EP-0418016-A1 N-phenylpyrazole derivatives as insecticides RHONE-POULENC AGRICULTURE LTD. (GB) 1991-03-20 EP disclosed
EP-0295117-A1 Derivatives of N-phenylpyrazoles RHONE-POULENC AGRICULTURE LIMITED (GB) 1988-12-14 EP 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-20110196011-A1 SUBSTITUTED ARYLPYRAZOLES CYP4X1, EPX, CYP2C9 GABRP 1847/4885GABRD 2228/4885GABRA1 1260/4885
US-20100075956-A1 N-(1-ARYLPYRAZOL-4L)SULFONAMIDES AND THEIR USE AS PARASITICIDES ARSA, STS, SULT1E1 GABRP 1611/4885GABRD 2916/4885GABRA1 1754/4885
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.