SCHEMBL6214784

SCHEMBL6214784

O=C(O)CCCCCCc1nc(NCc2ccc3c(c2)OCO3)c2c(n1)sc1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
AURKB Q96GD4 1/20 0.43
HTT P42858 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
PDE5A O76074 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL6215716 0.99 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2AURKARPS6KB1AURKB
SCHEMBL6216578 0.97 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2AURKARPS6KB1AURKB
SCHEMBL6215445 0.95 CHRM4 (0.41) ALDH1A1SMN1; SMN2AURKARPS6KB1AURKB
SCHEMBL6213497 0.94 CHRM4 (0.41) ALDH1A1SMN1; SMN2AURKARPS6KB1AURKB
SCHEMBL6215426 0.93 AURKA (0.45) ALDH1A1SMN1; SMN2AURKARPS6KB1AURKB
SCHEMBL6763971 0.92 CHRM4 (0.42) ALDH1A1SMN1; SMN2AURKARPS6KB1AURKB
SCHEMBL6235752 0.91 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL6238548 0.90 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL6217080 0.88 CHRM4 (0.43) ALDH1A1SMN1; SMN2AURKARPS6KB1AURKB
SCHEMBL6763501 0.88 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HTTMEN1KMT2A

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 28 patents — showing the first 20. 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 claimed
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 claimed
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 claimed
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 claimed
US-20040058940-A1 Pharmaceutical formulation comprising thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives (2) MERCK PATENT GMBH (DE) 2004-03-25 US claimed
EP-1347762-A2 PHARMACEUTICAL FORMULATION CONTAINING THIENOPYRIMIDINES AND ANTITHROMBOTICS, CALCIUM ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES (2) MERCK PATENT GmbH (DE) 2003-10-01 EP claimed
US-20030022906-A1 Use of pde v inhibitors MERCK PATENT GMBH (DE) 2003-01-30 US claimed
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 claimed
EP-1259229-A2 USE OF PDE V INHIBITORS MERCK PATENT GmbH (DE) 2002-11-27 EP claimed
WO-2002049649-A2 PHARMACEUTICAL FORMULATION CONTAINING THIENOPYRIMIDINES AND ANTITHROMBOTICS, CALCIUM ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES (2) MERCK PATENT GMBH (DE) 2002-06-27 WO claimed
EP-1212062-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2002-06-12 EP claimed
WO-2001064192-A2 USE OF BENZOTHIENO-2,3-D-PYRIMIDINES WITH PDE V INHIBITORY EFFECT FOR THE TREATMENT OF ERECTILE DYSFUNCTION MERCK PATENT GMBH (DE) 2001-09-07 WO claimed
WO-2001019369-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2001-03-22 WO claimed
EP-1084125-A1 CONDENSED THIENOPYRIMIDINES WITH PHOSPHODIESTERASE-V INHIBITING ACTION MERCK PATENT GmbH (DE) 2001-03-21 EP claimed
WO-1999055708-A1 CONDENSED THIENOPYRIMIDINES WITH PHOSPHODIESTERASE-V INHIBITING ACTION MERCK PATENT GMBH (DE) 1999-11-04 WO claimed
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
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-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 ALDH1A1 1785/4885SMN1; SMN2 4332/4885AURKA 1662/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR ALDH1A1 3483/4885SMN1; SMN2 4122/4885AURKA 1411/4885
US-20040058940-A1 Pharmaceutical formulation comprising thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives (2) PTGER1, PTGIS, PTGIR ALDH1A1 1756/4885SMN1; SMN2 2595/4885AURKA 2836/4885
US-20030022906-A1 Use of pde v inhibitors PDE3A, PDE5A, PDE2A ALDH1A1 2276/4885SMN1; SMN2 1693/4885AURKA 3664/4885

“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.