SCHEMBL14099337

SCHEMBL14099337

N=C(N)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.49
PRSS1 P07477 3/20 0.44
PRSS3 P35030 2/20 0.44
PRSS2 P07478 1/20 0.44
KDM1A O60341 1/20 0.43
PLAU P00749 2/20 0.42
F2 P00734 2/20 0.42
PLG P00747 1/20 0.42
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42
F10 P00742 1/20 0.42
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
F12 P00748 1/20 0.41
LMNA P02545 1/20 0.40
MASP2 O00187 1/20 0.40
THPO P40225 1/20 0.40
APEX1 P27695 1/20 0.39

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
Hydrochloric Acid SCHEMBL5125320 0.98 KIF11 (0.47) KIF11PRSS1PRSS3PRSS2KDM1A
SCHEMBL4875325 0.86 PRSS1 (0.42) KIF11PRSS1PRSS3PRSS2PLAU
SCHEMBL4822867 0.82 KIF11 (0.47) KIF11KDM1AKCNQ3KCNQ2KCNE1
SCHEMBL1031838 0.82 KIF11 (0.56) KIF11KDM1AKCNQ3KCNQ2KCNE1
SCHEMBL28171232 0.80 F12 (0.46) PRSS1PRSS3PRSS2PLAUF2
SCHEMBL17730494 0.79 KIF11 (0.45) KIF11KDM1AKCNQ3KCNQ2KCNE1
SCHEMBL17738060 0.79 KIF11 (0.45) KIF11KDM1AKCNQ3KCNQ2KCNE1
SCHEMBL12291843 0.79 KIF11 (0.45) KIF11KDM1AKCNQ3KCNQ2KCNE1
SCHEMBL17730496 0.79 KIF11 (0.45) KIF11KDM1AKCNQ3KCNQ2KCNE1
SCHEMBL1262883 0.79 CES2 (0.54) PRSS1PRSS3PRSS2PLAUF2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4594309-A1 AZOLE MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION Genentech Inc. (US) 2025-08-06 EP disclosed
CN-120019049-A Azole modulators of cholesterol biosynthesis and their use for promoting remyelination 基因泰克公司 2025-05-16 CN disclosed
WO-2024073662-A1 AZOLE MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2024-04-04 WO disclosed
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 US disclosed
EP-3227282-B1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-03 EP disclosed
US-10172843-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-08 US disclosed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 US disclosed
US-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-08-14 US disclosed
US-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-08-14 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-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B KIF11 2755/4885PRSS1 2802/4885PRSS3 3988/4885
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B KIF11 2755/4885PRSS1 2802/4885PRSS3 3988/4885
US-10172843-B2 Piperidine derivatives ADRA1D, ADORA1, ADRA1A KIF11 2771/4885PRSS1 2862/4885PRSS3 3563/4885
US-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof DPYD, TYMP, TYMS KIF11 4637/4885PRSS1 2266/4885PRSS3 3274/4885

“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.