SCHEMBL7218644

SCHEMBL7218644

CC(=O)N1CCc2cc(Br)cc(Cl)c21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.61
NOTUM Q6P988 2/20 0.59
CASP6 P55212 1/20 0.55
CYP11B2 P19099 7/20 0.54
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 1/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL20865720 0.84 NPSR1 (0.45) NPSR1NOTUMCASP6CYP11B2POLB
SCHEMBL7165608 0.83 NPSR1 (0.59) NPSR1NOTUMCASP6POLBMEN1
SCHEMBL31457876 0.81 NPSR1 (0.58) NPSR1NOTUMCASP6CYP11B2POLB
SCHEMBL10540017 0.81 NPSR1 (0.58) NPSR1NOTUMCASP6POLBMEN1
SCHEMBL9471223 0.81 NPSR1 (0.58) NPSR1NOTUMCASP6POLBMEN1
SCHEMBL17492500 0.81 NPSR1 (0.68) NPSR1CASP6POLBMEN1ALDH1A1
SCHEMBL9470187 0.78 NPSR1 (0.54) NPSR1NOTUMCASP6CYP11B2POLB
SCHEMBL3071409 0.77 HTR2A (0.56) NPSR1CASP6POLBMEN1ALDH1A1
SCHEMBL21792321 0.77 CYP11B2 (0.54) NPSR1NOTUMCYP11B2POLBMEN1
SCHEMBL5334692 0.75 NOTUM (0.51) NPSR1NOTUMCYP11B2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3702354-B1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF HAIHE BIOPHARMA CO LTD (CN) 2024-05-22 EP disclosed
US-11465984-B2 Compound having ERK kinase inhibitory activity and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2022-10-11 US disclosed
WO-2021093795-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2021-05-20 WO disclosed
EP-2903615-B1 5-PYRIDIN-3-YL-2,3-DIHYDRO-1H-INDOLE DERIVATIVES AS ALDOSTERONE SYNTHASE (CYP11B2) INHIBITORS FOR THE TREATMENT OF HYPERTENSION MERCK SHARP & DOHME (US) 2021-04-07 EP disclosed
EP-2903615-B1 5-PYRIDIN-3-YL-2,3-DIHYDRO-1H-INDOLE DERIVATIVES AS ALDOSTERONE SYNTHASE (CYP11B2) INHIBITORS FOR THE TREATMENT OF HYPERTENSION MERCK SHARP & DOHME (US) 2021-04-07 EP disclosed
EP-3702354-A1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2020-09-02 EP disclosed
EP-3702354-A1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2020-09-02 EP disclosed
US-20200247781-A1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF HAIHE BIOPHARMA CO., LTD. (CN) 2020-08-06 US disclosed
US-20200247781-A1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF HAIHE BIOPHARMA CO., LTD. (CN) 2020-08-06 US disclosed
WO-2019062949-A1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF 上海海和药物研究开发有限公司 2019-04-04 WO disclosed
EP-2903615-A1 INDOLINE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITIORS RELATED APPLICATIONS Merck Sharp & Dohme Corp. (US) 2015-08-12 EP disclosed
WO-2014055595-A1 INDOLINE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITIORS RELATED APPLICATIONS MERCK SHARP & DOHME CORP. (US) 2014-04-10 WO disclosed
US-6525056-B2 A fused nitrogen containing heterocyclic compound useful for treating psychiatric and neurological disorders, anxiety, post-traumatic stress, supranuclear palsy, feeding, immunological, cardiovascular and hypersensitivity disorders BRISTOL-MYERS SQUIBB COMPANY 2003-02-25 US disclosed
EP-1012151-B1 HETEROCYCLYL-SUBSTITUTED RING-FUSED PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING HORMONE (CRH) ANTAGONISTS, USEFUL FOR TREATING CNS AND STRESS-RELATED DISORDERS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-08-07 EP disclosed
US-20010025042-A1 Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone (CRH) antagonists, useful for treating cns and stress-related disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-09-27 US disclosed
US-6245769-B1 Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone(CRH) antagonists, useful for treating CNS and stress-related disorders DUPONT PHARMACEUTICALS COMPANY 2001-06-12 US disclosed
US-6228868-B1 ANTICARCINOGENIC AND ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-08 US disclosed
EP-1012151-A1 HETEROCYCLYL-SUBSTITUTED RING-FUSED PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING HORMONE (CRH) ANTAGONISTS, USEFUL FOR TREATING CNS AND STRESS-RELATED DISORDERS Dupont Pharmaceuticals Company (US) 2000-06-28 EP disclosed
WO-2000006556-A1 SUBSTITUTED OXAZOLINES AS ANTIPROLIFERATIVE AGENTS ABBOTT LABORATORIES (US) 2000-02-10 WO disclosed
WO-1999011643-A1 HETEROCYCLYL-SUBSTITUTED RING-FUSED PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING HORMONE (CRH) ANTAGONISTS, USEFUL FOR TREATING CNS AND STRESS-RELATED DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 1999-03-11 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 (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-11465984-B2 Compound having ERK kinase inhibitory activity and use thereof MAPK1, MAPK4, MAPK7 NPSR1 2796/4885NOTUM 1216/4885CASP6 2921/4885
US-20200247781-A1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF MAPK1, MAPK4, MAPK7 NPSR1 2796/4885NOTUM 1216/4885CASP6 2921/4885
US-20010025042-A1 Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone (CRH) antagonists, useful for treating cns and stress-related disorders CRH, CRHR1, CRHR2 NPSR1 81/4885NOTUM 4835/4885CASP6 2753/4885

“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.