Sugi Predict

Sugi Predict / Compounds / SCHEMBL1010411

SCHEMBL1010411

SCHEMBL1010411

COc1ccc(Br)c(C#N)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 4/20 0.39
▸ RECQL P46063 1/20 0.36
▸ USP8 P40818 5/20 0.36
▸ USP7 Q93009 2/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ MBOAT4 Q96T53 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ NNMT P40261 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL17978166 0.81 POLB (0.33) NQO2POLBTDP1SIRT2SIRT1
SCHEMBL1697618 0.80 MBOAT4 (0.37) RECQLUSP8MBOAT4KMT2A
SCHEMBL23595059 0.78 RECQL (0.44) PDE10ARECQLUSP8USP7PDE2A
SCHEMBL1010413 0.78 MBOAT4 (0.33) MBOAT4
SCHEMBL9966862 0.78 ACACB (0.39) PDE10AMBOAT4TDP1CYP1A2KMT2A
SCHEMBL19715553 0.77 MBOAT4 (0.35) USP8USP7MBOAT4
SCHEMBL621663 0.77 PDE10A (0.39) PDE10ARECQLUSP8USP7PDE2A
SCHEMBL13291171 0.77 PDE10A (0.39) PDE10ARECQLUSP8USP7PDE2A
SCHEMBL19838679 0.77 POLB (0.31) NQO2POLBTDP1SIRT2SIRT1
SCHEMBL1010250 0.76 HPGD (0.36) RECQLMBOAT4POLBCYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945571-B Cyclic compounds and methods of use thereof 薛定谔公司 2025-02-25 — — CN disclosed
WO-2024183806-A1 COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2024-09-12 — — WO disclosed
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2024-09-10 — — US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 — — US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 — — US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 — — US disclosed
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2022-12-01 — — US disclosed
EP-4081526-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2022-11-02 — — EP disclosed
US-11434236-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2022-09-06 — — US disclosed
CN-114945571-A Cyclic compounds and methods of use thereof 薛定谔公司 2022-08-26 — — CN disclosed
EP-2512478-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF Novartis AG (CH) 2012-10-24 — — EP disclosed
US-20120263753-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2012-10-18 — — US disclosed
EP-2440245-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES Novartis AG (CH) 2012-04-18 — — EP disclosed
WO-2011130379-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF NOVARTIS AG (CH) 2011-10-20 — — WO disclosed
WO-2011084549-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2011-07-14 — — WO disclosed
CN-102015651-A Compounds and compositions as TLR activity modulators IRM LLC 2011-04-13 — — CN disclosed
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-04-07 — — US disclosed
EP-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 — — EP disclosed
WO-2010144734-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2010-12-16 — — WO disclosed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 — — 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 (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-11434236-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 PDE10A 1144/4885RECQL 4765/4885USP8 4071/4885
US-20120263753-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES LY96, TLR3, GABRA4 PDE10A 1469/4885RECQL 1059/4885USP8 3451/4885
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 PDE10A 1144/4885RECQL 4765/4885USP8 4071/4885
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 PDE10A 1885/4885RECQL 1369/4885USP8 610/4885
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 PDE10A 1144/4885RECQL 4765/4885USP8 4071/4885
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME MALT1, FKBP1B, FKBP1A PDE10A 287/4885RECQL 2005/4885USP8 1749/4885

“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.