SCHEMBL764718

SCHEMBL764718

Cc1c(C=O)c(C(F)(F)F)nn1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PROKR1 Q8TCW9 4/20 0.35
FPR2 P25090 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
USP2 O75604 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5378519 0.83 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C19L3MBTL1POLB
SCHEMBL6294806 0.81 POLB (0.33) ALDH1A1GAAPROKR1FPR2CYP1A2
SCHEMBL939579 0.81 CYP1A2 (0.35) CYP1A2CYP2D6CYP2C19L3MBTL1POLB
SCHEMBL757178 0.79 CYP2C19 (0.48) ALDH1A1GAACYP1A2CYP2D6CYP2C19
SCHEMBL5373012 0.78 ALDH1A1 (0.34) ALDH1A1GAAPROKR1FPR2CYP1A2
SCHEMBL5373017 0.78 ALDH1A1 (0.34) ALDH1A1GAAPROKR1FPR2CYP1A2
SCHEMBL5372979 0.78 POLB (0.35) ALDH1A1GAAPROKR1FPR2CYP1A2
SCHEMBL5372975 0.78 POLB (0.35) ALDH1A1GAAPROKR1FPR2CYP1A2
SCHEMBL14507097 0.77 CYP2C19 (0.38) ALDH1A1GAACYP1A2CYP2D6CYP2C19
Formamide SCHEMBL5345806 0.76 POLB (0.36) ALDH1A1PROKR1FPR2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411431-A1 Novel compounds and their use in therapy IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2022-12-29 US disclosed
US-11466011-B2 Compounds and their use as inhibitors of N-myristoyl transferase IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2022-10-11 US disclosed
EP-3313833-B1 COMPOUNDS AND THEIR USE AS INHIBITORS OF N-MYRISTOYL TRANSFERASE IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2021-01-06 EP disclosed
US-20200339586-A1 Compounds And Their Use As Inhibitors Of N-Myristoyl Transferase IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2020-10-29 US disclosed
US-20200339586-A1 Compounds And Their Use As Inhibitors Of N-Myristoyl Transferase IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2020-10-29 US disclosed
US-10759804-B2 Compounds and their use as inhibitors of N-myristoyl transferase IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2020-09-01 US disclosed
US-10759804-B2 Compounds and their use as inhibitors of N-myristoyl transferase IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2020-09-01 US disclosed
US-20180370974-A1 Compounds And Their Use As Inhibitors Of N-Myristoyl Transferase IMPERIAL INNOVATIONS LIMITED (GB) 2018-12-27 US disclosed
CN-101861312-B 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines and pyridines and 3-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-2-phenyl pyridines as 5-HT7 receptor antagonists LILLY CO ELI 2014-09-03 CN disclosed
EP-2155717-B1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-10-24 EP disclosed
US-8202873-B2 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2012-06-19 US disclosed
EP-2050745-B1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT OTSUKA AGRITECHNO CO LTD (JP) 2012-03-21 EP disclosed
CN-101243049-B Substituted pyrazolecarboxylic acid anilide derivative or salt thereof, intermediate thereof, agent for agricultural and horticultural use, and use thereof NIHON NOHYAKU CO LTD 2011-11-16 CN disclosed
CN-101861312-A 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines and pyridines and 3-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-2-phenyl pyridines as 5-HT7 receptor antagonists LILLY CO ELI 2010-10-13 CN disclosed
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-05-13 US disclosed
EP-2155717-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008141020-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-11-20 WO disclosed
CN-101243049-A Substituted pyrazolecarboxylic acid anilide derivative or salt thereof, intermediate thereof, agent for agricultural and horticultural use, and use thereof NIHON NOHYAKU CO LTD (JP) 2008-08-13 CN 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 (6 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-10759804-B2 Compounds and their use as inhibitors of N-myristoyl transferase NMT1, NMT2, GNMT ALDH1A1 4471/4885GAA 580/4885PROKR1 4050/4885
US-20220411431-A1 Novel compounds and their use in therapy NMT1, NMT2, FNTA ALDH1A1 4270/4885GAA 526/4885PROKR1 3244/4885
US-11466011-B2 Compounds and their use as inhibitors of N-myristoyl transferase NMT1, NMT2, GNMT ALDH1A1 4471/4885GAA 580/4885PROKR1 4050/4885
US-20180370974-A1 Compounds And Their Use As Inhibitors Of N-Myristoyl Transferase NMT1, NMT2, GNMT ALDH1A1 4471/4885GAA 580/4885PROKR1 4050/4885
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR2C, HTR4 ALDH1A1 1205/4885GAA 4789/4885PROKR1 401/4885
US-20200339586-A1 Compounds And Their Use As Inhibitors Of N-Myristoyl Transferase NMT1, NMT2, GNMT ALDH1A1 4471/4885GAA 580/4885PROKR1 4050/4885

“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.