Sugi Predict

Sugi Predict / Compounds / SCHEMBL7458328

SCHEMBL7458328

SCHEMBL7458328

COc1ccc(Cn2c(=O)n(C)c(=O)c3c[nH]nc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ POLB P06746 2/20 0.50
▸ MAPT P10636 7/20 0.49
▸ PCSK9 Q8NBP7 1/20 0.49
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MAPK1 P28482 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MITF O75030 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ PARG Q86W56 1/20 0.45

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
SCHEMBL16367017 0.88 PDE5A (0.52) MAPTMEN1KMT2ATHRBKDM4E
SCHEMBL3665761 0.84 HPGD (0.52) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL11193538 0.77 ADORA2A (0.51) MAPK1TSHR
SCHEMBL3070917 0.77 PARG (0.45) ALDH1A1POLBMAPTPCSK9MEN1
SCHEMBL18330288 0.76 ALDH1A1 (0.54) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL16037273 0.75 MAPT (0.53) ALDH1A1POLBMAPTPCSK9MEN1
SCHEMBL28873795 0.75 ADORA2A (0.58) ALDH1A1POLBMAPTPCSK9MEN1
SCHEMBL556004 0.74 ALDH1A1 (0.66) ALDH1A1POLBMAPTPCSK9MEN1
SCHEMBL3089382 0.74 PIK3CD (0.53) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL5410997 0.73 PDE1A (0.55) MEN1KMT2AMAPK1TSHRPDE1A

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435093-B2 Free base crystals INTRA-CELLULAR THERAPIES, INC. (US) 2025-10-07 — — US disclosed
US-20240101569-A1 SALT CRYSTALS INTRA-CELLULAR THERAPIES, INC. 2024-03-28 — — US disclosed
EP-4284806-A1 SALT CRYSTALS Intra-Cellular Therapies, Inc. (US) 2023-12-06 — — EP disclosed
CN-116745303-A salt crystals 细胞内治疗公司 2023-09-12 — — CN disclosed
US-20230174543-A1 FREE BASE CRYSTALS INTRA-CELLULAR THERAPIES, INC. (US) 2023-06-08 — — US disclosed
US-20230174543-A1 FREE BASE CRYSTALS INTRA-CELLULAR THERAPIES, INC. (US) 2023-06-08 — — US disclosed
US-20220089597-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2022-03-24 — — US disclosed
EP-3725789-B1 7,8-DIHYDRO-[2H]-IMIDAZO-[1,2-A]PYRAZOLO[4,3-E]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS PHOSPHODIESTERASE 1 (PDE1) INHIBITORS FOR TREATING DISEASES, DISORDERS OR INJURIES OF THE CENTRAL NERVOUS SYSTEM (CNS) INTRA CELLULAR THERAPIES INC (US) 2022-03-09 — — EP disclosed
WO-2021226407-A1 FREE BASE CRYSTALS INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-11 — — WO disclosed
US-20210309663-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2021-10-07 — — US disclosed
US-9073936-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2015-07-07 — — US disclosed
EP-2863918-A2 SALT CRYSTALS Intra-Cellular Therapies, Inc. (US) 2015-04-29 — — EP disclosed
WO-2014205354-A2 FREE BASE CRYSTALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-24 — — WO disclosed
WO-2014205354-A2 FREE BASE CRYSTALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-24 — — WO disclosed
WO-2014151409-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2014-09-25 — — WO disclosed
US-20140275131-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2014-09-18 — — US disclosed
WO-2013192556-A2 SALT CRYSTALS INTRA-CELLULAR THERAPIES, INC. (US) 2013-12-27 — — WO disclosed
EP-2576550-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2013-04-10 — — EP disclosed
US-20130085123-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2013-04-04 — — US disclosed
WO-2011153129-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2011-12-08 — — 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 (7 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-20220089597-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN5 ALDH1A1 3953/4885POLB 4349/4885MAPT 4320/4885
US-12435093-B2 Free base crystals NT5C3B, NT5C, MTAP ALDH1A1 1631/4885POLB 948/4885MAPT 1884/4885
US-20240101569-A1 SALT CRYSTALS SSB, ACR, KAT8 ALDH1A1 2295/4885POLB 466/4885MAPT 1084/4885
US-20130085123-A1 ORGANIC COMPOUNDS TPMT, TYMS, P2RX4 ALDH1A1 424/4885POLB 404/4885MAPT 1129/4885
US-20230174543-A1 FREE BASE CRYSTALS NT5C3B, MTAP, NT5C ALDH1A1 1369/4885POLB 743/4885MAPT 1711/4885
US-20210309663-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN5 ALDH1A1 3953/4885POLB 4349/4885MAPT 4320/4885
US-20140275131-A1 ORGANIC COMPOUNDS PDE3A, PDE5A, PDE2A ALDH1A1 50/4885POLB 737/4885MAPT 2241/4885

“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.