Sugi Predict

Sugi Predict / Compounds / SCHEMBL6711566

SCHEMBL6711566

SCHEMBL6711566

COC(=O)CCc1nc(NCc2ccc3c(c2)OCO3)c2c(C)c(C)sc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ NPSR1 Q6W5P4 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ CHRM4 P08173 3/20 0.44
▸ MAPT P10636 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ PPP1CA P62136 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL6708332 0.95 ALDH1A1 (0.43) ALDH1A1KDM4ENPSR1SMN1; SMN2HPGD
SCHEMBL6706639 0.94 ALDH1A1 (0.42) ALDH1A1KDM4ENPSR1SMN1; SMN2HPGD
SCHEMBL6708320 0.93 ALDH1A1 (0.42) ALDH1A1KDM4ENPSR1SMN1; SMN2HPGD
SCHEMBL6708354 0.91 CHRM4 (0.45) ALDH1A1KDM4ENPSR1SMN1; SMN2LMNA
SCHEMBL6706616 0.88 CHRM4 (0.44) ALDH1A1KDM4ENPSR1SMN1; SMN2LMNA
SCHEMBL6706989 0.87 CHRM4 (0.43) ALDH1A1KDM4ENPSR1SMN1; SMN2LMNA
SCHEMBL6706601 0.86 CHRM4 (0.42) ALDH1A1KDM4ENPSR1SMN1; SMN2LMNA
SCHEMBL5251584 0.85 PTPN12 (0.49) ALDH1A1KDM4ENPSR1SMN1; SMN2HPGD
SCHEMBL6234106 0.85 MEN1 (0.44) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL6708163 0.85 MAPT (0.44) ALDH1A1KDM4ENPSR1SMN1; SMN2HPGD

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
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-20040072846-A1 Pharmaceutical formulation containing thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives MERCK PATENT GMBH (DE) 2004-04-15 — — 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-20040034040-A1 Use of thienopyrimidines MERCK PATENT GMBH (DE) 2004-02-19 — — US disclosed
EP-1357915-A2 PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO 4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2003-11-05 — — EP disclosed
EP-1347761-A2 PHARMACEUTICAL FORMULATION CONTAINING THIENOPYRIMIDINES AND ANTITHROMBOTICS, CALCIUM ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-01 — — EP disclosed
EP-1337256-A2 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2003-08-27 — — EP disclosed
US-6495554-B2 PHOSPHODIESTERASE V INHIBITORS, TREATING CARDIOVASCULAR DISORDERS, AND THERAPY OF ERECTILE DYSFUNCTION. MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-12-17 — — US disclosed
US-20020132818-A1 Thienopyrimidines MERCK PATENT GMBH (DE) 2002-09-19 — — US disclosed
WO-2002062343-A2 PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO[4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2002-08-15 — — WO disclosed
US-6420368-B1 DISEASES OF THE CARDIOVASCULAR SYSTEM AND FOR TREATMENT AND/OR THERAPY OF ERECTILE DYSFUNCTION. MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-07-16 — — US disclosed
WO-2002049650-A2 PHARMACEUTICAL FORMULATION CONTAINING THIENOPYRIMIDINES AND ANTITHROMBOTICS, CALCIUM ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES MERCK PATENT GMBH (DE) 2002-06-27 — — WO disclosed
WO-2002041896-A2 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2002-05-30 — — WO disclosed
EP-1036078-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2000-09-20 — — EP disclosed
WO-1999028325-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1999-06-10 — — 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 (5 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 1785/4885KDM4E 3713/4885NPSR1 538/4885
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 3483/4885KDM4E 2219/4885NPSR1 221/4885
US-20040034040-A1 Use of thienopyrimidines DPYD, TBXAS1, TYMS ALDH1A1 497/4885KDM4E 4364/4885NPSR1 533/4885
US-20020132818-A1 Thienopyrimidines PDE5A, PDE3B, PDE3A ALDH1A1 313/4885KDM4E 1949/4885NPSR1 2732/4885
US-20040072846-A1 Pharmaceutical formulation containing thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives PTGER1, TBXA2R, PTGIS ALDH1A1 2919/4885KDM4E 4709/4885NPSR1 265/4885

“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.