Histrelin

Histrelin

SCHEMBL84261

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1.[H+]

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GNRHR

The experimentally established mechanism targets of Histrelin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GNRHR known ✓ P30968 2/20 0.76
ABCC2 Q92887 1/20 0.76
PTGS1 P23219 1/20 0.70
APLNR P35414 5/20 0.60
CXCR4 P61073 2/20 0.57

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
Histrelin SCHEMBL7619565 1.00 GNRHR (0.77) GNRHRABCC2PTGS1APLNRCXCR4
Histrelin SCHEMBL29405757 1.00 GNRHR (0.77) GNRHRABCC2PTGS1APLNRCXCR4
Histrelin SCHEMBL17881 1.00 GNRHR (0.77) GNRHRABCC2PTGS1APLNRCXCR4
Histrelin SCHEMBL29372688 0.99 ABCC2 (0.78) GNRHRABCC2PTGS1APLNRCXCR4
Histrelin SCHEMBL5327685 0.99 ABCC2 (0.78) GNRHRABCC2PTGS1APLNRCXCR4
Histrelin SCHEMBL18715 0.99 ABCC2 (0.78) GNRHRABCC2PTGS1APLNRCXCR4
Histrelin SCHEMBL22288995 0.94 GNRHR (0.67) GNRHRABCC2PTGS1APLNRCXCR4
Histrelin SCHEMBL1650282 0.94 GNRHR (0.67) GNRHRABCC2PTGS1APLNRCXCR4
Leuprolide SCHEMBL4585 0.93 GNRHR (0.86) GNRHRABCC2PTGS1APLNRCXCR4
Leuprolide SCHEMBL7751433 0.93 GNRHR (0.86) GNRHRABCC2PTGS1APLNRCXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108774232-B 2, 3-dihydroimidazo [1,2-c ] quinazoline substituted derivatives 拜耳知识产权有限责任公司 2022-08-09 CN claimed
US-20190161556-A1 Fusion Protein Construct NORTHWESTERN UNIVERSITY 2019-05-30 US claimed
US-RE46856-E1 Substituted 2,3-dihydroimidazo[1,2-c]quinazoline derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-22 US claimed
US-9278925-B2 Substituted 3-(biphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-08 US claimed
CN-105254634-A SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORP 2016-01-20 CN claimed
US-8859572-B2 Sulfone substituted 2,3-dihydroimidazo [1,2-C] quinazoline derivatives useful for treating hyper-proliferative disorders and diseases with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 US claimed
US-20130261113-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORPORATION 2013-10-03 US claimed
US-8466283-B2 Substituted 2,3-dihydroimidazo[1,2-c]quinazoline derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-18 US claimed
US-8101773-B2 Hydroxy methyl phenyl pyrazolyl urea compounds useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2012-01-24 US claimed
EP-2023926-B1 PYRIDONECARBOXAMIDE DERIVATIVES USEFUL IN TREATING HYPER-PROLIFERATIVE AND ANGIOGENESIS DISORDERS Bayer Pharma AG (DE) 2011-10-12 EP claimed
CN-101010315-A Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER PHARMACEUTICALS CORP (US) 2007-08-01 CN claimed
WO-2007064872-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2007-06-07 WO claimed
WO-2007059202-A2 PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE AG (DE) 2007-05-24 WO claimed
EP-1751139-A2 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Bayer Pharmaceuticals Corporation (US) 2007-02-14 EP claimed
CN-1839126-A Novel cyanopyridine derivatives for the treatment of cancer and other disorders BAYER PHARMACEUTICALS CORP (US) 2006-09-27 CN claimed
JP-2006519264-A 2006-08-24 JP claimed
EP-1599467-A1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-11-30 EP claimed
WO-2005110994-A2 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2005-11-24 WO claimed
US-20040235829-A1 Novel cyanopyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2004-11-25 US claimed
WO-2004078747-A1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 WO claimed

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-20130261113-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS PIK3CA, PIK3CD, PIK3CB GNRHR 3818/4885ABCC2 2549/4885PTGS1 1096/4885
US-20040235829-A1 Novel cyanopyridine derivatives useful in the treatment of cancer and other disorders VHL, HCCS, CDK4 GNRHR 3983/4885ABCC2 648/4885PTGS1 820/4885
US-20190161556-A1 Fusion Protein Construct RPS27A, CD2BP2, JMJD7 GNRHR 3550/4885ABCC2 4453/4885PTGS1 3128/4885

“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.