SCHEMBL1752329

SCHEMBL1752329

COC(=O)C1(c2c(C#N)nn(-c3c(Cl)cc(OC(F)(F)F)cc3Cl)c2/N=C/N(C)C)CC1(F)F

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL1752330 1.00 KDM4E (0.31) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL4962548 0.92 ALDH1A1 (0.31) ALDH1A1HPGD
SCHEMBL1752114 0.91 GABRP (0.38) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL1752115 0.91 GABRP (0.38) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL1752523 0.89 KDM4E (0.32) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL1752524 0.89 KDM4E (0.32) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL2001346 0.86 ALDH1A1 (0.31) ALDH1A1HPGD
SCHEMBL2001348 0.86 ALDH1A1 (0.31) ALDH1A1HPGD
SCHEMBL1752369 0.84 GABRP (0.38) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL1752368 0.84 GABRP (0.38) KDM4EALDH1A1GAAMAPTHPGD

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 6 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-7645786-B2 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2010-01-12 US disclosed
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER INC. (US) 2009-07-23 US disclosed
US-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-07-24 US disclosed
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2007-06-28 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 (3 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-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 KDM4E 942/4885ALDH1A1 565/4885GAA 774/4885
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 KDM4E 942/4885ALDH1A1 565/4885GAA 774/4885
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days CYP3A43, CYP3A4, CYP2F1 KDM4E 1732/4885ALDH1A1 559/4885GAA 1656/4885

“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.