Sugi Predict

Sugi Predict / Compounds / SCHEMBL3089382

SCHEMBL3089382

SCHEMBL3089382

COc1ccc(Cn2c(=O)n(C)c(=O)c3cn(Cc4ccc(-c5ccccc5)cc4)nc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.53
▸ ALDH1A1 P00352 7/20 0.49
▸ MAPT P10636 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MITF O75030 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ PAX8 Q06710 1/20 0.49
▸ POLB P06746 2/20 0.49
▸ BLM P54132 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ADORA3 P0DMS8 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL18330288 0.95 ALDH1A1 (0.54) PIK3CDALDH1A1MAPTLMNAMAPK1
SCHEMBL29465027 0.88 MAPT (0.46) PIK3CDALDH1A1MAPTLMNAMAPK1
SCHEMBL17610011 0.88 MAPT (0.46) PIK3CDALDH1A1MAPTLMNAMAPK1
SCHEMBL16037273 0.87 MAPT (0.53) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL16366912 0.85 PDE1B (0.46) PIK3CDALDH1A1MAPTLMNAMAPK1
SCHEMBL17508432 0.84 MAPT (0.47) PIK3CDALDH1A1MAPTLMNAMAPK1
SCHEMBL7000713 0.84 MAPT (0.47) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL3084224 0.84 PDE1A (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AADORA3
SCHEMBL7513519 0.82 USP1 (0.45) ALDH1A1MAPTLMNAMAPK1L3MBTL1
Isobutyraldehyde SCHEMBL3661931 0.80 PDE1A (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AADORA3

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
EP-1888534-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2017-07-26 — — EP disclosed
US-9624230-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2017-04-18 — — US disclosed
EP-2240028-B1 Pyrazolopyrimidine-4,6-dione derivatives and their use as pharmaceutical INTRA CELLULAR THERAPIES INC (US) 2016-07-20 — — EP disclosed
US-20150197524-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-07-16 — — US disclosed
US-20150197528-A1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2015-07-16 — — US disclosed
US-9000001-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2015-04-07 — — US disclosed
US-8846693-B2 Optionally substituted pyrazolo[3,4-d]pyrimidine-4,6-diones INTRA-CELLULAR THERAPIES, INC. (US) 2014-09-30 — — US disclosed
US-20130018063-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2013-01-17 — — US disclosed
US-8273750-B2 7,8-dihydro-[1H or 2H]-imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one or 7,8,9-trihydro-[1H or 2H]-pyrimido[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one, substituted at the 1 or 2 position with C2-]alkyl, C3-9 cycloalkyl, heteroarylalkyl, or arylalkyl; phosphodiesterase 1 inhibitors; Parkinsons disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 — — US disclosed
US-20100273753-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2010-10-28 — — US disclosed
EP-2240028-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2010-10-20 — — EP disclosed
WO-2009073210-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC (US) 2009-06-11 — — WO disclosed
US-20080188492-A1 7,8-dihydro-[1H or 2H]-imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one or 7,8,9-trihydro-[1H or 2H]-pyrimido[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one, substituted at the 1 or 2 position with C2-]alkyl, C3-9 cycloalkyl, heteroarylalkyl, or arylalkyl; phosphodiesterase 1 inhibitors; Parkinsons disease INTRA-CELLULAR THERAPIES, INC (US) 2008-08-07 — — US disclosed
EP-1888534-A2 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2008-02-20 — — EP disclosed
WO-2006133261-A2 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2006-12-14 — — 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 (5 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-20100273753-A1 ORGANIC COMPOUNDS OPRD1, PGR, HTR1D PIK3CD 293/4885ALDH1A1 698/4885MAPT 1469/4885
US-20150197524-A1 ORGANIC COMPOUNDS OPRD1, HTR1D, DRD1 PIK3CD 224/4885ALDH1A1 659/4885MAPT 1365/4885
US-20150197528-A1 ORGANIC COMPOUNDS PDE3A, PDE9A, PDE2A PIK3CD 136/4885ALDH1A1 122/4885MAPT 4083/4885
US-20130018063-A1 ORGANIC COMPOUNDS PDE9A, PDE3A, PDE7A PIK3CD 143/4885ALDH1A1 95/4885MAPT 3411/4885
US-20080188492-A1 7,8-dihydro-[1H or 2H]-imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one or 7,8,9-trihydro-[1H or 2H]-pyrimido[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one, substituted at the 1 or 2 position with C2-]alkyl, C3-9 cycloalkyl, heteroarylalkyl, or arylalkyl; phosphodiesterase 1 inhibitors; Parkinsons disease PDE9A, PDE3A, PDE7A PIK3CD 241/4885ALDH1A1 110/4885MAPT 2983/4885

“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.