SCHEMBL4922800

SCHEMBL4922800

c1nc(N2CCNCC2)c2ccsc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 1.00
MEN1 O00255 1/20 0.65
HRH1 P35367 1/20 0.60
STAT3 P40763 6/20 0.56
HTT P42858 3/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NR2F2 P24468 4/20 0.53
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51

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
Hydrochloric Acid SCHEMBL30569569 0.98 HTR2C (0.97) HTR2CMEN1HRH1STAT3HTT
SCHEMBL14612428 0.94 HTR2C (0.89) HTR2CMEN1HRH1STAT3HTT
SCHEMBL13640916 0.84 HTR2C (0.72) HTR2CMEN1HRH1STAT3HTT
SCHEMBL5107750 0.83 HTR2C (0.70) HTR2CMEN1HRH1STAT3HTT
SCHEMBL12789895 0.83 MEN1 (0.71) HTR2CMEN1HRH1STAT3HTT
SCHEMBL4192433 0.79 HTR2C (0.65) HTR2CMEN1HRH1STAT3HTT
SCHEMBL30945075 0.79 HTR2C (0.65) HTR2CMEN1HRH1STAT3HTT
SCHEMBL12789913 0.79 MEN1 (1.00) HTR2CMEN1HRH1STAT3HTT
SCHEMBL12789889 0.79 MEN1 (0.70) HTR2CMEN1HRH1STAT3HTT
SCHEMBL4245389 0.79 HTR2C (0.65) HTR2CMEN1HRH1STAT3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113979915-B Dopamine D 2 Receptor dual ligand compounds and uses 常州大学 2023-07-25 CN disclosed
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
CN-113979915-A Dopamine D2Receptor dibit ligand type compound and application 常州大学 2022-01-28 CN disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 US disclosed
EP-3115361-B1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2019-10-23 EP disclosed
US-10174011-B2 Heterocyclic compounds, process for preparation of the same and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-01-08 US disclosed
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-06-08 US disclosed
EP-3115361-A1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-01-11 EP disclosed
EP-2744812-B1 THERAPEUTICALLY ACTIVE FUSED PYRIMIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-07-20 EP disclosed
US-20160152634-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2016-06-02 US disclosed
US-20140309222-A1 Therapeutically Active Fused Pyrimidine Derivatives KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2014-10-16 US disclosed
EP-2780343-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2014-09-24 EP disclosed
CN-104011054-A Thieno- and furo-pyrimidines and pyridines, useful as potassium channel inhibitors XENTION LTD 2014-08-27 CN disclosed
EP-2744812-A2 THERAPEUTICALLY ACTIVE FUSED PYRIMIDINE DERIVATIVES UCB Pharma, S.A. (BE) 2014-06-25 EP disclosed
WO-2013072694-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2013-05-23 WO disclosed
WO-2013024291-A2 THERAPEUTICALLY ACTIVE FUSED PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2013-02-21 WO disclosed
US-20110065690-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF LEUKEMIA THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-17 US disclosed
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US 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 (9 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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA HTR2C 2906/4885MEN1 4787/4885HRH1 2392/4885
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 HTR2C 215/4885MEN1 4451/4885HRH1 77/4885
US-20160152634-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS KCNA3, KCNJ1, KCNJ11 HTR2C 1881/4885MEN1 1205/4885HRH1 367/4885
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 HTR2C 375/4885MEN1 4406/4885HRH1 263/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA HTR2C 2906/4885MEN1 4787/4885HRH1 2392/4885
US-20140309222-A1 Therapeutically Active Fused Pyrimidine Derivatives HAVCR2, TPMT, PAICS HTR2C 3785/4885MEN1 3860/4885HRH1 1162/4885
US-10174011-B2 Heterocyclic compounds, process for preparation of the same and use thereof CYP11B2, CYP11B1, ADCYAP1R1 HTR2C 333/4885MEN1 116/4885HRH1 430/4885
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF CYP11B2, CYP11B1, ADCYAP1R1 HTR2C 333/4885MEN1 116/4885HRH1 430/4885
US-20110065690-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF LEUKEMIA MLLT1, MCL1, MLLT3 HTR2C 4728/4885MEN1 10/4885HRH1 3264/4885

“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.