SCHEMBL2000670

SCHEMBL2000670

NNc1c(F)cc(C(F)(F)F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.40
IDO1 P14902 5/20 0.36
RAPGEF4 Q8WZA2 1/20 0.34
PDE2A O00408 2/20 0.33
CES2 O00748 1/20 0.33
MPL P40238 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
GPR35 Q9HC97 1/20 0.31
PTPN5 P54829 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
SCHEMBL2835169 0.86 ALDH1A1 (0.38) KIF11IDO1RAPGEF4PDE2ATSHR
SCHEMBL30581108 0.76 RAPGEF4 (0.52) KIF11IDO1RAPGEF4CES2TSHR
SCHEMBL241686 0.74 ALDH1A1 (0.42) KIF11IDO1RAPGEF4PDE2ATSHR
Hydrochloric Acid SCHEMBL20984299 0.74 ALDH1A1 (0.42) IDO1RAPGEF4CES2TSHRMAPK1
Bromide SCHEMBL20984676 0.74 ALDH1A1 (0.38) IDO1RAPGEF4CES2TSHRMAPK1
SCHEMBL10616863 0.74 NOTUM (0.34) IDO1RAPGEF4CES2TSHRMAPK1
Hydrochloric Acid SCHEMBL26131624 0.74 RAPGEF4 (0.50) KIF11IDO1RAPGEF4CES2PTPN5
SCHEMBL360584 0.74 MAPT (0.44) RAPGEF4CES2GAA
Hydrochloric Acid SCHEMBL5745583 0.73 ALDH1A1 (0.41) IDO1RAPGEF4PDE2ATSHRGAA
Bromide SCHEMBL20984180 0.72 MAPT (0.42) RAPGEF4CES2GAA

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-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-B8 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS PFIZER LTD (GB) 2009-03-25 EP 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
EP-1901608-A1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS Pfizer Limited (GB) 2008-03-26 EP disclosed
WO-2006134466-A1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS PFIZER LIMITED (GB) 2006-12-21 WO disclosed
EP-1705989-A1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS Pfizer Limited (GB) 2006-10-04 EP 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
WO-2005060749-A1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS PFIZER LIMITED (GB) 2005-07-07 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 (5 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 KIF11 3322/4885IDO1 1141/4885RAPGEF4 2167/4885
US-20110196011-A1 SUBSTITUTED ARYLPYRAZOLES CYP4X1, EPX, CYP2C9 KIF11 3322/4885IDO1 1141/4885RAPGEF4 2167/4885
US-20050148649-A1 Substituted arylpyrazoles CYP3A4, CYP4B1, CYP1B1 KIF11 1565/4885IDO1 420/4885RAPGEF4 1395/4885
US-20060014802-A1 Substituted arylpyrazoles CYP4X1, ARG1, CYP2C9 KIF11 3533/4885IDO1 901/4885RAPGEF4 2095/4885
US-20090312371-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A43, CYP3A4, CYP4X1 KIF11 1564/4885IDO1 778/4885RAPGEF4 1752/4885

“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.