SCHEMBL16834849

SCHEMBL16834849

N#Cc1cncc(Oc2c[nH]nc2-c2ccc(F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.43
NPY5R Q15761 1/20 0.40
CYP3A4 P08684 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
ERBB2 P04626 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
EPAS1 Q99814 10/20 0.38
VEGFA P15692 6/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL16855756 0.88 ERBB2 (0.39) ERBB2EPAS1VEGFAKDM1A
SCHEMBL16847910 0.85 EPAS1 (0.42) ERBB2EPAS1VEGFA
SCHEMBL16834858 0.84 SLC22A12 (0.41) SLC22A12NPY5RERBB2EPAS1VEGFA
SCHEMBL16834851 0.81 PRMT5 (0.36) CYP11B1CYP11B2EPAS1
SCHEMBL16847723 0.78 PRMT5 (0.43)
SCHEMBL16847912 0.78 ALOX5AP (0.47) NPY5RCYP3A4ERBB2
SCHEMBL16834960 0.78 SLC22A12 (0.41) SLC22A12ERBB2KDM1A
SCHEMBL2425876 0.77 CYP3A4 (0.50) SLC22A12NPY5RCYP3A4CHRNB2CHRNA4
SCHEMBL16847721 0.77 MAP2K4 (0.43) NPY5REPAS1
SCHEMBL16855753 0.77 AR (0.44) SLC22A12CYP3A4ERBB2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106795120-B Novel pyridyloxy-and phenyloxy-pyrazolyl compounds 豪夫迈·罗氏有限公司 2020-09-01 CN claimed
EP-3083605-B1 FLUOROPHENYL PYRAZOL COMPOUNDS LILLY CO ELI (US) 2018-02-21 EP disclosed
EP-3083605-B1 FLUOROPHENYL PYRAZOL COMPOUNDS LILLY CO ELI (US) 2018-02-21 EP disclosed
US-9499490-B2 Fluorophenyl pyrazol compounds ELI LILLY AND COMPANY (US) 2016-11-22 US disclosed
US-9499490-B2 Fluorophenyl pyrazol compounds ELI LILLY AND COMPANY (US) 2016-11-22 US disclosed
US-9499490-B2 Fluorophenyl pyrazol compounds ELI LILLY AND COMPANY (US) 2016-11-22 US disclosed
EP-3083605-A1 FLUOROPHENYL PYRAZOL COMPOUNDS Eli Lilly & Company (US) 2016-10-26 EP disclosed
US-20160289195-A1 FLUOROPHENYL PYRAZOL COMPOUNDS ELI LILLY AND COMPANY 2016-10-06 US disclosed
US-20160289195-A1 FLUOROPHENYL PYRAZOL COMPOUNDS ELI LILLY AND COMPANY 2016-10-06 US disclosed
US-20160289195-A1 FLUOROPHENYL PYRAZOL COMPOUNDS ELI LILLY AND COMPANY 2016-10-06 US disclosed
WO-2015094913-A1 FLUOROPHENYL PYRAZOL COMPOUNDS ELI LILLY AND COMPANY (US) 2015-06-25 WO disclosed
WO-2015094913-A1 FLUOROPHENYL PYRAZOL COMPOUNDS ELI LILLY AND COMPANY (US) 2015-06-25 WO disclosed
WO-2015089800-A1 FLUOROPHENYL PYRAZOL COMPOUNDS ELI LILLY AND COMPANY (US) 2015-06-25 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 (1 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-20160289195-A1 FLUOROPHENYL PYRAZOL COMPOUNDS SLCO1B3, CYP3A43, CYP4F3 SLC22A12 681/4885NPY5R 126/4885CYP3A4 32/4885

“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.