SCHEMBL224421

SCHEMBL224421

c1cc2c(cn1)CCC[N]2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRM1 P11229 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CHRM4 P08173 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7449194 0.94 SIGMAR1 (0.57) SIGMAR1CHRNB2CHRNA4ALDH1A1CYP1A2
SCHEMBL737232 0.87
SCHEMBL221597 0.83 SIGMAR1 (0.54) SIGMAR1CHRNB2CHRNA4ALDH1A1CYP1A2
SCHEMBL7019855 0.78 SIGMAR1 (0.57) SIGMAR1CHRNB2CHRNA4ALDH1A1CYP1A2
SCHEMBL5604 0.71 TSHR (0.48) ALDH1A1
SCHEMBL29518090 0.70
SCHEMBL2388666 0.70
5,6,7,8-Tetrahydroisoquinoline SCHEMBL28211 0.70 SIGMAR1 (1.00) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
Bromide SCHEMBL11831501 0.70 TSHR (0.46) ALDH1A1
SCHEMBL736652 0.70

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 1317 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210069188-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF D. E. SHAW RESEARCH, LLC 2021-03-11 US claimed
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. 2020-06-04 US claimed
EP-3630770-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS Relay Therapeutics, Inc. (US) 2020-04-08 EP claimed
WO-2018218133-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. (US) 2018-11-29 WO claimed
JP-H08509967-A 1996-10-22 JP claimed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP claimed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO claimed
US-12042513-B2 Proteolysis targeting chimeric molecules (PROTACs) with functional handles and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-07-23 US disclosed
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
WO-2024151519-A2 PPARG MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATIN, INCORPORATED (US) 2024-07-18 WO disclosed
CN-118339152-A Macrocyclic compounds having farnesyl transferase inhibitory activity 库拉肿瘤学公司 2024-07-12 CN disclosed
US-20240226302-A1 BIODEGRADABLE LIPIDS AND FORMULATIONS FOR INTRAMUSCULAR, IN VITRO, AND EX VIVO TRANSFECTION OF MRNA MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-07-11 US disclosed
US-20240228671-A1 POLYPEPTIDYL LINKERS Quantum-Si Incorporated (US) 2024-07-11 US disclosed
WO-1999025752-A1 FUNCTIONALIZED RESIN FOR THE SYNTHESIS OF AMIDES AND PEPTIDES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-05-27 WO disclosed
WO-1999020275-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-04-29 WO disclosed
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 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 (6 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-20240226302-A1 BIODEGRADABLE LIPIDS AND FORMULATIONS FOR INTRAMUSCULAR, IN VITRO, AND EX VIVO TRANSFECTION OF MRNA CPT1B, IGF2BP2, IGF2BP3 SIGMAR1 1334/4885CHRNB2 2333/4885CHRNA4 2781/4885
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 SIGMAR1 2801/4885CHRNB2 2058/4885CHRNA4 2465/4885
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS PTPRJ, PTPN2, PTPN5 SIGMAR1 3199/4885CHRNB2 3932/4885CHRNA4 4622/4885
US-20240228671-A1 POLYPEPTIDYL LINKERS VIP, DNPEP, PREP SIGMAR1 4729/4885CHRNB2 4440/4885CHRNA4 4768/4885
US-20210069188-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN2, PTPN5, PTPRJ SIGMAR1 3884/4885CHRNB2 3961/4885CHRNA4 4647/4885
US-12042513-B2 Proteolysis targeting chimeric molecules (PROTACs) with functional handles and uses thereof CRBN, PSMA6, PSMA3 SIGMAR1 4158/4885CHRNB2 4325/4885CHRNA4 4718/4885

“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.