SCHEMBL6217080

SCHEMBL6217080

O=C(O)CCc1nc(NCc2ccc3c(c2)OCCO3)c2c(n1)sc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.43
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AURKB Q96GD4 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HTT P42858 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
PDE5A O76074 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
VNN1 O95497 1/20 0.38

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
SCHEMBL6763971 0.95 CHRM4 (0.42) CHRM4AURKARPS6KB1AURKBALDH1A1
SCHEMBL6215426 0.95 AURKA (0.45) AURKARPS6KB1AURKBALDH1A1HTT
SCHEMBL6213497 0.94 CHRM4 (0.41) CHRM4AURKARPS6KB1AURKBALDH1A1
SCHEMBL6215445 0.93 CHRM4 (0.41) CHRM4AURKARPS6KB1AURKBALDH1A1
SCHEMBL6216578 0.90 ALDH1A1 (0.45) AURKARPS6KB1AURKBALDH1A1HTT
SCHEMBL6215716 0.89 ALDH1A1 (0.44) AURKARPS6KB1AURKBALDH1A1HTT
SCHEMBL6214784 0.88 ALDH1A1 (0.44) AURKARPS6KB1AURKBALDH1A1HTT
SCHEMBL6217625 0.85 FFAR1 (0.47) AURKARPS6KB1
SCHEMBL6234106 0.85 MEN1 (0.44) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL6213909 0.85 ACHE (0.44)

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084125-B1 CONDENSED THIENOPYRIMIDINES WITH PHOSPHODIESTERASE-V INHIBITING ACTION MERCK PATENT GMBH (DE) 2005-12-28 EP disclosed
EP-1259229-B1 USE OF BENZO-THIENO[2,3-d]PYRIMIDINES HAVING PDE V INHIBITING ACTIVITY FOR THE TREATMENT OF ERECTILE DYSFUNCTION MERCK PATENT GMBH (DE) 2005-06-15 EP disclosed
US-20040077664-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidine and nitrates or thienopyrimidines and nitrates MERCK PATENT GMBH (DE) 2004-04-22 US disclosed
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists MERCK PATENT GMBH (DE) 2004-04-01 US disclosed
US-20040058940-A1 Pharmaceutical formulation comprising thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives (2) MERCK PATENT GMBH (DE) 2004-03-25 US disclosed
EP-1355649-A2 PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO 4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES MERCK PATENT GmbH (DE) 2003-10-29 EP disclosed
EP-1347762-A2 PHARMACEUTICAL FORMULATION CONTAINING THIENOPYRIMIDINES AND ANTITHROMBOTICS, CALCIUM ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES (2) MERCK PATENT GmbH (DE) 2003-10-01 EP disclosed
US-20030022906-A1 Use of pde v inhibitors MERCK PATENT GMBH (DE) 2003-01-30 US disclosed
US-6495557-B1 SUCH AS 3-(4-(3-CHLORO-4-METHOXYBENZYLAMINO)BENZO-(4,5)-THIENO (2,3-D)PYRIMIDIN-2-YL)PROPIONIC ACID; CARDIOVASCULAR DISORDERS AND/OR IMPAIRED POTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-12-17 US disclosed
WO-2002060449-A2 PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO[4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES MERCK PATENT GMBH (DE) 2002-08-08 WO disclosed
WO-2002049649-A2 PHARMACEUTICAL FORMULATION CONTAINING THIENOPYRIMIDINES AND ANTITHROMBOTICS, CALCIUM ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES (2) MERCK PATENT GMBH (DE) 2002-06-27 WO disclosed
EP-1212062-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2002-06-12 EP disclosed
WO-2001019369-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2001-03-22 WO disclosed
EP-1084125-A1 CONDENSED THIENOPYRIMIDINES WITH PHOSPHODIESTERASE-V INHIBITING ACTION MERCK PATENT GmbH (DE) 2001-03-21 EP disclosed
WO-1999055708-A1 CONDENSED THIENOPYRIMIDINES WITH PHOSPHODIESTERASE-V INHIBITING ACTION MERCK PATENT GMBH (DE) 1999-11-04 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 (4 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-20040077664-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidine and nitrates or thienopyrimidines and nitrates PTGIS, DPYD, PTGIR CHRM4 771/4885AURKA 1662/4885RPS6KB1 2700/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR CHRM4 280/4885AURKA 1411/4885RPS6KB1 3031/4885
US-20040058940-A1 Pharmaceutical formulation comprising thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives (2) PTGER1, PTGIS, PTGIR CHRM4 1569/4885AURKA 2836/4885RPS6KB1 2286/4885
US-20030022906-A1 Use of pde v inhibitors PDE3A, PDE5A, PDE2A CHRM4 1433/4885AURKA 3664/4885RPS6KB1 4659/4885

“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.