SCHEMBL16834835

SCHEMBL16834835

Cc1ccc(C#N)nc1Oc1c[nH]nc1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
ERBB2 P04626 1/20 0.39
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
CHUK O15111 1/20 0.37
LMNA P02545 1/20 0.35
MET P08581 2/20 0.35
SQOR Q9Y6N5 3/20 0.35
NPSR1 Q6W5P4 2/20 0.34
ADORA1 P30542 2/20 0.34
CYP2D6 P10635 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA2A P29274 1/20 0.33

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
SCHEMBL16847913 0.80 ERBB2 (0.44) CYP1A2CYP3A4CYP2C19ERBB2MEN1
SCHEMBL16847722 0.80 LRRK2 (0.40) CYP1A2CYP3A4CYP2C19ERBB2MEN1
SCHEMBL16855753 0.79 AR (0.44) CYP1A2CYP3A4CYP2C19ERBB2MEN1
SCHEMBL16834842 0.79 ALOX5AP (0.46) ERBB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL1259949 0.78 ALDH1A1 (0.44) CYP1A2CYP3A4CYP2C19ERBB2MEN1
SCHEMBL16847946 0.78 DYRK1A (0.33) ALDH1A1CHUKLMNAADORA1ADORA2A
SCHEMBL16847719 0.74 SLC22A12 (0.43) CYP1A2CYP2C19ERBB2MEN1KMT2A
SCHEMBL16847912 0.73 ALOX5AP (0.47) CYP1A2CYP3A4CYP2C19ERBB2MEN1
SCHEMBL16834847 0.73 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDLMNANPSR1
SCHEMBL31236710 0.72 ERBB2 (0.41) CYP1A2CYP3A4CYP2C19ERBB2MEN1

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 14 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
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 CYP1A2 78/4885CYP3A4 32/4885CYP2C19 27/4885

“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.