SCHEMBL649237

SCHEMBL649237

CCCCn1c(-c2ccccc2C)nc(-c2ccc(C)cc2)c1CN(Cc1ccc(C(=O)OC)cc1)Cc1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.39
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
DRD2 P14416 1/20 0.33
TBXA2R P21731 1/20 0.33
AGTR2 P50052 1/20 0.33
CMKLR1 Q99788 1/20 0.33
LTB4R2 Q9NPC1 2/20 0.33

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
SCHEMBL652334 0.92 AGTR1 (0.37) AGTR1AGTR2LTB4R2
SCHEMBL648072 0.92 AGTR1 (0.39) AGTR1DRD2TBXA2RLTB4R2
SCHEMBL652332 0.89 AGTR1 (0.36) AGTR1DRD2TBXA2RAGTR2CMKLR1
SCHEMBL648302 0.89 AGTR1 (0.38) AGTR1DRD2TBXA2RAGTR2CMKLR1
SCHEMBL649495 0.89 TLR8 (0.36) AGTR1DRD2TBXA2RAGTR2CMKLR1
SCHEMBL652771 0.88 TLR8 (0.36) AGTR1DRD2TBXA2RAGTR2CMKLR1
SCHEMBL650281 0.88 AGTR1 (0.40) AGTR1AGTR2LTB4R2
SCHEMBL651300 0.87 AGTR1 (0.35) AGTR1DRD2TBXA2RCMKLR1LTB4R2
SCHEMBL650986 0.87 AGTR1 (0.35) AGTR1DRD2TBXA2RCMKLR1LTB4R2
SCHEMBL648274 0.87 AGTR1 (0.35) AGTR1DRD2TBXA2RCMKLR1LTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117720674-B Modified chitosan, preparation method thereof, retarding water reducer and application 科之杰新材料集团有限公司 2026-05-19 CN claimed
CN-122010900-A Organic ionic liquid formed by mixing double medicaments and application thereof 苏州大学 2026-05-12 CN claimed
US-20260027074-A1 ANIMAL THERAPEUTIC COMPOSITION AND ASSOCIATED METHODS KODISCOVERY LLC (US) 2026-01-29 US claimed
US-20260014106-A1 COMBINATION IMMUNORESPONSE REGULATOR/IMMUNOTHERAPY SYSTEM AND METHOD KODISCOVERY LLC (US) 2026-01-15 US claimed
US-20250017950-A1 COMPOUNDS FOR TREATING MITOCHONDRIAL DNA DISORDERS UCL BUSINESS LTD (GB) 2025-01-16 US claimed
WO-2024255217-A1 MODIFIED CHITOSAN AND PREPARATION METHOD THEREFOR, AND RETARDATION-TYPE WATER-REDUCING AGENT AND USE THEREOF 科之杰新材料集团有限公司 2024-12-19 WO claimed
US-20240316012-A1 METHODS FOR TREATING LYMPHOMA NORTHWESTERN UNIVERSITY (US) 2024-09-26 US claimed
WO-2024148139-A2 METABOLITE-BASED PARTICLES AND COMPOSITIONS THEREOF FOR PREVENTING AND TREATING NEUROLOGICAL DISEASES AND DISORDERS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2024-07-11 WO claimed
CN-114605475-B Oral Pt (IV) anticancer prodrugs containing 3-bromopyruvate ligand axially 云南贵金属实验室有限公司 2024-02-02 CN claimed
CN-115386097-B Hafnium-based metal organic framework material, preparation method thereof and contrast imaging application 上海市第六人民医院 2024-01-26 CN claimed
US-20190127691-A1 Metabolic Pressure for Stem Cell Differentiation and Purification CHARLES STARK DRAPER LABORATORY INC (US) 2019-05-02 US claimed
US-20180027802-A1 Composition and use of substances for the in vitro stabilization of glucose, lactate and homocysteine in blood WESER-BISSE PETRA (DE) 2018-02-01 US claimed
EP-2883056-B1 COMPOSITION AND USE OF SUBSTANCES FOR THE IN VITRO STABILIZATION OF GLUCOSE, LACTATE AND HOMOCYSTEINE IN BLOOD WESER-BISSÉ PETRA (DE) 2017-10-18 EP claimed
US-9788538-B2 Method for the in vitro stabilization of glucose, lactate and homocysteine in a blood sample and method for determining the amount of blood components in a blood sample Weser-Bisse, Petra (DE) 2017-10-17 US claimed
US-20150208644-A1 COMPOSITION AND USE OF SUBSTANCES FOR THE IN VITRO STABILIZATION OF GLUCOSE, LACTATE AND HOMOCYSTEINE IN BLOOD WESER-BISSE, PETRA (DE) 2015-07-30 US claimed
EP-2883056-A1 COMPOSITION AND USE OF SUBSTANCES FOR THE IN VITRO STABILIZATION OF GLUCOSE, LACTATE AND HOMOCYSTEINE IN BLOOD Weser-Bissé, Petra (DE) 2015-06-17 EP claimed
WO-2014023612-A1 COMPOSITION AND USE OF SUBSTANCES FOR THE IN VITRO STABILIZATION OF GLUCOSE, LACTATE AND HOMOCYSTEINE IN BLOOD WESER-BISSÉ, Petra (DE) 2014-02-13 WO claimed
EP-2696204-A1 Composition and use of substances for the in vitro stabilization of glucose, lactate and homocysteine in blood Weser-Bissé, Petra (DE) 2014-02-12 EP claimed
US-20050159387-A1 In-vivo energy depleting strategies for killing drug-resistant cancer cells SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2005-07-21 US claimed
WO-2003105862-A1 IN-VIVO ENERGY DEPLETING STRATEGIES FOR KILLING DRUG-RESISTANT CANCER CELLS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2003-12-24 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-20260014106-A1 COMBINATION IMMUNORESPONSE REGULATOR/IMMUNOTHERAPY SYSTEM AND METHOD FBP1, BPGM, TLR6 AGTR1 3978/4885PDK1 166/4885PDK2 264/4885
US-20250017950-A1 COMPOUNDS FOR TREATING MITOCHONDRIAL DNA DISORDERS POLRMT, TK2, GOT2 AGTR1 4374/4885PDK1 212/4885PDK2 158/4885
US-20260027074-A1 ANIMAL THERAPEUTIC COMPOSITION AND ASSOCIATED METHODS DERA, BPGM, FBP1 AGTR1 3600/4885PDK1 80/4885PDK2 258/4885

“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.