SCHEMBL530059

SCHEMBL530059

COc1ccc(Cn2ncc3cc(Br)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
NPBWR1 P48145 8/20 0.47
BRD4 O60885 1/20 0.46
MCHR1 Q99705 1/20 0.43
QPCT Q16769 1/20 0.43
QPCTL Q9NXS2 1/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
RECQL P46063 1/20 0.43
PDE1B Q01064 3/20 0.43
PDE1A P54750 2/20 0.43
PDE1C Q14123 2/20 0.43
ERBB2 P04626 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42

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
SCHEMBL5091051 0.89 BRD4 (0.53) IDO1NPBWR1BRD4MCHR1GRIN1
SCHEMBL29433484 0.89 BRD4 (0.53) IDO1NPBWR1BRD4MCHR1GRIN1
SCHEMBL2443709 0.84 NPBWR1 (0.47) NPBWR1BRD4MCHR1QPCTQPCTL
SCHEMBL29447767 0.84 QPCT (0.48) NPBWR1BRD4MCHR1QPCTQPCTL
SCHEMBL30879430 0.84 NPBWR1 (0.47) NPBWR1BRD4MCHR1QPCTQPCTL
SCHEMBL24996628 0.84 NPBWR1 (0.47) NPBWR1BRD4MCHR1QPCTQPCTL
SCHEMBL20401464 0.84 QPCT (0.48) NPBWR1BRD4MCHR1QPCTQPCTL
SCHEMBL10080163 0.84 NPBWR1 (0.47) NPBWR1BRD4MCHR1QPCTQPCTL
SCHEMBL9917439 0.83 RECQL (0.47) GRIN1GRIN2BRECQLERBB2PKM
SCHEMBL31513500 0.82 NPBWR1 (0.55) NPBWR1MCHR1PDE1BPDE1APDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115335043-B PGDH inhibitors and methods of making and using the same 迈欧伏特治疗公司 2025-03-28 CN disclosed
US-20240391931-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-11-28 US disclosed
US-20240262820-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING MYOFORTE THERAPEUTICS, INC. 2024-08-08 US disclosed
CN-117980309-A Tricyclic fused pyrimidine compounds useful as HER2 inhibitors 百时美施贵宝公司 2024-05-03 CN disclosed
US-11891389-B2 PGDH inhibitors and methods of making and using MYOFORTE THERAPEUTICS, INC. (US) 2024-02-06 US disclosed
CN-117377668-A Inhalant formulations of PGDH inhibitors and methods of use thereof 迈欧伏特治疗公司 2024-01-09 CN disclosed
US-20230390274-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF MYOFORTE THERAPEUTICS, INC. 2023-12-07 US disclosed
EP-4228650-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF Epirium Bio Inc. (US) 2023-08-23 EP disclosed
WO-2023015240-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-02-09 WO disclosed
EP-4093385-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING Myoforte Therapeutics Inc. (US) 2022-11-30 EP disclosed
US-8071779-B2 reduces intraocular pressure; primary open-angle glaucoma; effective to influence the actomyosin interactions by leading to cellular relaxation and alterations in cell-substratum adhesions INSPIRE PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071779-B2 reduces intraocular pressure; primary open-angle glaucoma; effective to influence the actomyosin interactions by leading to cellular relaxation and alterations in cell-substratum adhesions INSPIRE PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071779-B2 reduces intraocular pressure; primary open-angle glaucoma; effective to influence the actomyosin interactions by leading to cellular relaxation and alterations in cell-substratum adhesions INSPIRE PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
CN-101583361-A Cytoskeletal Active RHO Kinase Inhibitor Compounds, Compositions and Uses INSPIRE PHARMACEUTICALS INC (US) 2009-11-18 CN disclosed
EP-2099457-A2 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE Inspire Pharmaceuticals, Inc. (US) 2009-09-16 EP disclosed
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2008-09-04 US disclosed
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2008-09-04 US disclosed
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2008-09-04 US disclosed
WO-2008077057-A2 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed
WO-2008077057-A2 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2008-06-26 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-20240391931-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS ERBB2, ERBB3, EGFR IDO1 2903/4885NPBWR1 3044/4885BRD4 495/4885
US-11891389-B2 PGDH inhibitors and methods of making and using HPGD, HPGDS, PTGS1 IDO1 580/4885NPBWR1 2548/4885BRD4 3289/4885
US-20240262820-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING HPGD, HPGDS, PTGS1 IDO1 655/4885NPBWR1 2543/4885BRD4 3370/4885
US-20230390274-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF HPGD, HPGDS, GCDH IDO1 213/4885NPBWR1 1714/4885BRD4 3784/4885
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 IDO1 3362/4885NPBWR1 4260/4885BRD4 3395/4885

“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.