SCHEMBL116160

SCHEMBL116160

OB(O)c1cc(CN2CCOCC2)cnc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
MCHR1 Q99705 2/20 0.41
HTR2C P28335 1/20 0.41
HIF1A Q16665 2/20 0.40
EPAS1 Q99814 2/20 0.40
PDE4B Q07343 1/20 0.39
NOS1 P29475 2/20 0.39
PIK3CA P42336 1/20 0.39
NCF1 P14598 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 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
SCHEMBL29955596 1.00 MAPT (0.43) MAPTNPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL115669 0.86 SIGMAR1 (0.43) NPC1
SCHEMBL29953762 0.83 MEN1 (0.49) ALDH1A1SMN1; SMN2
SCHEMBL115750 0.83 MEN1 (0.49) ALDH1A1SMN1; SMN2
SCHEMBL20605142 0.77 HRH3 (0.51) MAPTNPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL29790035 0.76 HRH3 (0.38) MAPTNPC1ALDH1A1SMN1; SMN2HRH3
SCHEMBL20896620 0.76 HRH3 (0.38) MAPTNPC1ALDH1A1SMN1; SMN2HRH3
SCHEMBL115588 0.74 IDO1 (0.44) MAPTTP53
SCHEMBL31002264 0.74 HRH3 (0.44) MAPTNPC1SMN1; SMN2HRH3MCHR1
SCHEMBL31082081 0.74 HRH3 (0.51) MAPTNPC1ALDH1A1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666767-B1 PHTHALAZINONE DERIVATIVES, METHOD FOR THEIR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION COMPRISING THEM, AND THEIR USE SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-12-01 EP disclosed
US-11040952-B2 Phthalazinone compound, method for preparation thereof, pharmaceutical composition thereof, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-06-22 US disclosed
EP-3666767-A1 PYRIDAZINONE COMPOUND, METHOD FOR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-06-17 EP disclosed
US-20200181109-A1 PHTHALAZINONE COMPOUND, METHOD FOR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-06-11 US disclosed
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD MAPT 1510/4885NPC1 479/4885ALDH1A1 4256/4885
US-20200181109-A1 PHTHALAZINONE COMPOUND, METHOD FOR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF POLRMT, POLN, HCCS MAPT 1513/4885NPC1 470/4885ALDH1A1 3846/4885
US-11040952-B2 Phthalazinone compound, method for preparation thereof, pharmaceutical composition thereof, and use thereof POLRMT, POLN, HCCS MAPT 1513/4885NPC1 470/4885ALDH1A1 3846/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD MAPT 1510/4885NPC1 479/4885ALDH1A1 4256/4885

“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.