Sugi Predict

Sugi Predict / Compounds / SCHEMBL8877952

SCHEMBL8877952

SCHEMBL8877952

CC(C)(C)OC(=O)n1ccc2cccnc21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.59
▸ SLC22A12 Q96S37 11/20 0.52
▸ SLC22A6 Q4U2R8 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ ENPP3 O14638 2/20 0.47
▸ ENPP1 P22413 2/20 0.47
▸ POLB P06746 1/20 0.43
▸ MTNR1A P48039 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ BUB1 O43683 1/20 0.39
▸ GPR119 Q8TDV5 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
SCHEMBL29831328 1.00 PARP1 (0.59) PARP1SLC22A12SLC22A6ABCG2ENPP3
SCHEMBL28733871 0.79 BUB1 (0.39) PARP1SLC22A12POLBHSP90AA1HSP90AB1
SCHEMBL30935087 0.79 ELANE (0.51) PARP1POLBHSP90AA1HSP90AB1BUB1
SCHEMBL27869342 0.78 PIK3CD (0.45) PARP1HSP90AA1HSP90AB1BUB1GPR119
SCHEMBL163330 0.78 PARP1 (0.70) PARP1SLC22A12SLC22A6ABCG2ENPP3
SCHEMBL24450111 0.77 PIK3CA (0.40) PARP1SLC22A12ENPP3ENPP1HSP90AA1
SCHEMBL3633175 0.77 PARP1 (0.46) PARP1SLC22A12SLC22A6ABCG2ENPP3
SCHEMBL31357866 0.77 HSP90AA1 (0.46) PARP1POLBHSP90AA1HSP90AB1BUB1
SCHEMBL30814349 0.77 POLB (0.43) POLBGPR119
SCHEMBL18053950 0.77 HSP90AA1 (0.43) PARP1HSP90AA1HSP90AB1BUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112159423-A Synthesis method of 1H-pyrrolo [2,3-b ] pyridine-2-boronic acid pinacol ester 凯美克(上海)医药科技有限公司 2021-01-01 — — CN claimed
WO-2022184152-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-09-09 — — WO disclosed
WO-2022171034-A1 BICYCLIC COMPOUND AS HPK1 INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2022-08-18 — — WO disclosed
EP-3362449-B1 SIBIRILINE DERIVATIVES FOR USE FOR PREVENTING AND/OR TREATING DISORDERS ASSOCIATED WITH CELLULAR NECROPTOSIS INST NAT SANTE RECH MED (FR) 2021-06-16 — — EP disclosed
EP-3362449-B1 SIBIRILINE DERIVATIVES FOR USE FOR PREVENTING AND/OR TREATING DISORDERS ASSOCIATED WITH CELLULAR NECROPTOSIS INST NAT SANTE RECH MED (FR) 2021-06-16 — — EP disclosed
CN-112159423-A Synthesis method of 1H-pyrrolo [2,3-b ] pyridine-2-boronic acid pinacol ester 凯美克(上海)医药科技有限公司 2021-01-01 — — CN disclosed
CN-112159423-A Synthesis method of 1H-pyrrolo [2,3-b ] pyridine-2-boronic acid pinacol ester 凯美克(上海)医药科技有限公司 2021-01-01 — — CN disclosed
US-10426758-B2 Sibiriline derivatives for use for preventing and/or treating disorders associated with cellular necroptosis INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2019-10-01 — — US disclosed
US-10426758-B2 Sibiriline derivatives for use for preventing and/or treating disorders associated with cellular necroptosis INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2019-10-01 — — US disclosed
CN-110248940-A Aryl hydrocarbon receptor (AhR) adjusts immunomodulator compounds 菲尼克斯药品股份公司 2019-09-17 — — CN disclosed
US-20140256768-A1 HETEROCYCLIC MOLECULES AS APOPTOSIS INDUCERS BETA PHARMA CANADA INC. (CA) 2014-09-11 — — US disclosed
US-20140256768-A1 HETEROCYCLIC MOLECULES AS APOPTOSIS INDUCERS BETA PHARMA CANADA INC. (CA) 2014-09-11 — — US disclosed
CN-104039797-A Heterocyclic molecules as apoptosis inducers BETA PHARMA CANADA INC 2014-09-10 — — CN disclosed
WO-2013053045-A1 HETEROCYCLIC MOLECULES AS APOPTOSIS INDUCERS BETA PHARMA CANADA INC. (CA) 2013-04-18 — — WO disclosed
US-7750158-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2010-07-06 — — US disclosed
US-7750158-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2010-07-06 — — US disclosed
CN-101605787-A Compounds that modulate c-fms and/or c-kit activity and uses thereof PLEXXIKON INC (US) 2009-12-16 — — CN disclosed
US-20080146814-A1 Process for producing N-protected boryl compounds BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-19 — — US disclosed
US-20080146814-A1 Process for producing N-protected boryl compounds BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-19 — — US disclosed
US-5681959-A DEPROTONATION OF A 2-AMINO-3-ALKYLPYRIDINE WITH AN ALKYLLITHIUM COMPOUND, THEN REACTION WITH AN AMIDE OR ESTER AND TREATMENT WITH A CONCENTRATED ACID FOR CYCLIZATION MERCK, SHARP & DOHME LTD. (GB) 1997-10-28 — — 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 (3 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-20080146814-A1 Process for producing N-protected boryl compounds PBK, NME2, ZC3HAV1 PARP1 17/4885SLC22A12 3858/4885SLC22A6 3681/4885
US-10426758-B2 Sibiriline derivatives for use for preventing and/or treating disorders associated with cellular necroptosis RIPK3, MLKL, PARK7 PARP1 1751/4885SLC22A12 2687/4885SLC22A6 2621/4885
US-20140256768-A1 HETEROCYCLIC MOLECULES AS APOPTOSIS INDUCERS BAX, BCL2, BAD PARP1 1380/4885SLC22A12 3590/4885SLC22A6 3792/4885

“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.