SCHEMBL2999788

SCHEMBL2999788

O=C1NCCc2c(Br)cccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 1.00
PARP11 Q9NR21 6/20 1.00
PIM1 P11309 1/20 0.68
CSNK1A1 P48729 1/20 0.68
CDK5 Q00535 1/20 0.68
ROCK1 Q13464 1/20 0.68
DYRK1A Q13627 1/20 0.68
LRRK2 Q5S007 1/20 0.68
CLK4 Q9HAZ1 1/20 0.68
DYRK1B Q9Y463 1/20 0.68
PARP1 P09874 14/20 0.64
PDPK1 O15530 1/20 0.52
ACHE P22303 1/20 0.50

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
SCHEMBL29644368 1.00 PARP10 (1.00) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL19643333 0.89 PARP10 (0.81) PARP10PARP11PIM1CSNK1A1CDK5
Toluene SCHEMBL29027038 0.89 PARP10 (0.79) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL1333810 0.81 CLK4 (1.00) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL831538 0.78 PARP1 (1.00) PARP10PARP11PARP1PDPK1ACHE
SCHEMBL797996 0.78 PARP1 (0.64) PARP10PARP11PARP1PDPK1ACHE
SCHEMBL7581623 0.78 PARP1 (1.00) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL6421827 0.78 PARP1 (0.64) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL8118685 0.78 PARP1 (0.64) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL830807 0.78 PARP1 (1.00) PARP10PARP11PIM1CSNK1A1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260108482-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2026-04-23 US disclosed
US-20250296931-A1 NOVEL ISOQUINOLINONE, PYRROLOPYRIDINONE AND THIENOPYRIDINONE SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2025-09-25 US disclosed
US-20240300907-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2024-09-12 US disclosed
WO-2024153112-A1 PDE4 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 瑞石生物医药有限公司 2024-07-25 WO disclosed
CN-114507181-B Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-03-26 CN disclosed
WO-2024017856-A1 NOVEL ISOQUINOLINONE, PYRROLOPYRIDINONE AND THIENOPYRIDINONE SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-01-25 WO disclosed
CN-117242073-A PRMT5 inhibitors and uses thereof 海思科医药集团股份有限公司 2023-12-15 CN disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
EP-2200989-A1 ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2010-06-30 EP disclosed
EP-2185511-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-05-19 EP disclosed
WO-2009044019-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 WO disclosed
WO-2009036144-A1 ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-19 WO disclosed
US-20090069300-A1 ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-12 US disclosed
US-7144894-B2 Sulfonamide bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US disclosed
US-20060063799-A1 Sulfonamide bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY 2006-03-23 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 (8 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-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS OPRM1, OPRK1, OPRD1 PARP10 3869/4885PARP11 4109/4885PIM1 4319/4885
US-20060063799-A1 Sulfonamide bicyclic compounds APP, BACE1, IAPP PARP10 3549/4885PARP11 2838/4885PIM1 1008/4885
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 PARP10 2728/4885PARP11 2042/4885PIM1 4603/4885
US-20090069300-A1 ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 PARP10 2737/4885PARP11 3376/4885PIM1 4362/4885
US-20250296931-A1 NOVEL ISOQUINOLINONE, PYRROLOPYRIDINONE AND THIENOPYRIDINONE SULFONAMIDE DERIVATIVES SULT1E1, XDH, PRXL2A PARP10 1576/4885PARP11 639/4885PIM1 216/4885
US-20260108482-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 PARP10 3171/4885PARP11 2352/4885PIM1 4712/4885
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF COX4I1, CNR2, CNR1 PARP10 650/4885PARP11 288/4885PIM1 1269/4885
US-20240300907-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 PARP10 2728/4885PARP11 2042/4885PIM1 4603/4885

“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.