SCHEMBL4363732

SCHEMBL4363732

O=C(Nc1ccccc1)c1ccccc1F

nearest known ligand 0.89

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.89
KMT2A Q03164 5/20 0.89
TDP1 Q9NUW8 2/20 0.89
NPC1 O15118 9/20 0.86
RAB9A P51151 9/20 0.86
LMNA P02545 3/20 0.79
SMN1; SMN2 Q16637 7/20 0.74
HTT P42858 2/20 0.74
MAPT P10636 3/20 0.66
ALDH1A1 P00352 2/20 0.66
TP53 P04637 3/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
KDM4E B2RXH2 2/20 0.63
HPGD P15428 2/20 0.63
HSD17B10 Q99714 1/20 0.63
P4HTM Q9NXG6 1/20 0.62
MCL1 Q07820 1/20 0.62

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
SCHEMBL17115776 0.93 NPC1 (1.00) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL14825062 0.93 NPC1 (1.00) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL27471728 0.91 MEN1 (0.74) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL6814456 0.90 MEN1 (0.77) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL30739608 0.89 LMNA (1.00) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL6295702 0.89 LMNA (1.00) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL4102438 0.88 MEN1 (0.80) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL30739691 0.87 KMT2A (0.68) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL11359908 0.85 NPC1 (0.66) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL679040 0.85 MEN1 (0.83) MEN1KMT2ATDP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed
EP-2365809-B1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2018-07-18 EP disclosed
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 EP disclosed
CN-106146411-A (S) preparation method of-2-(1-amino-propyl)-5-fluoro-3-phenyl-3H-quinazoline-4-one 上海医药工业研究院 2016-11-23 CN disclosed
CN-106146352-A Idelalisib intermediate and preparation method thereof 上海医药工业研究院 2016-11-23 CN disclosed
CN-105431437-A PI3K protein kinase inhibitors, in particular inhibitors and/or gamma inhibitors RHIZEN PHARMACEUTICALS SA 2016-03-23 CN disclosed
CN-104513235-A Substituted aminopyrimidine compound and use thereof GUANGDONG HEC PHARMACEUTICAL 2015-04-15 CN disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
WO-2010068292-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
US-7589089-B2 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. (US) 2009-09-15 US disclosed
EP-2021331-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-02-11 EP disclosed
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 US disclosed
WO-2007138033-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-06 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 (2 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-20080058331-A1 Inhibitors for GlyT-1 GLRA1, SLC1A2, AGXT MEN1 2246/4885KMT2A 218/4885TDP1 816/4885
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 MEN1 3066/4885KMT2A 2104/4885TDP1 2716/4885

“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.