SCHEMBL6763192

SCHEMBL6763192

COC(=O)CC1CCC(c2nc(Cl)c3c(n2)sc2ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
EGLN1 Q9GZT9 1/20 0.37
ALDH1A1 P00352 8/20 0.35
TDP1 Q9NUW8 2/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
PPARG P37231 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL6743866 0.85 MAPK1 (0.38) TSHRMAPK1KDM4EL3MBTL1MEN1
SCHEMBL6859354 0.81 HSD17B10 (0.36) TSHRMAPK1KDM4EALDH1A1HPGD
SCHEMBL6858363 0.80 PDE5A (0.41)
SCHEMBL6657678 0.80 EGLN1 (0.39) TSHRMAPK1KDM4EL3MBTL1MEN1
SCHEMBL7674654 0.77 PTPN12 (0.47) TSHRMAPK1KDM4EMEN1KMT2A
SCHEMBL7656292 0.77 NPC1 (0.53) TSHRMAPK1KDM4EL3MBTL1MEN1
SCHEMBL6691209 0.76 KDM4E (0.33) TSHRMAPK1KDM4EL3MBTL1MEN1
SCHEMBL6901515 0.76 TMIGD3 (0.45) TSHRMAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL6763425 0.75 EGLN1 (0.42) TSHRMAPK1KDM4EL3MBTL1MEN1
SCHEMBL6219167 0.73 EGLN1 (0.41) MAPK1KDM4EMEN1KMT2AEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787548-B1 CARDIOVASCULAR INSUFFICIENCY AND ERECTILE DYSFUNCTION; 3-(4-(3-CHLORO-4-HYDROXYBENZYLAMINO) BENZO(4,5)THIENO(2,3-D)PYRIMIDIN-2-YL)PROPIONIC ACID MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2004-09-07 US disclosed
US-6756375-B2 ESTROGEN RECEPTOR MODULATION; HORMONE REPLACEMENT THERAPY AKZO NOBEL N.V. (NL) 2004-06-29 US 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-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
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-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

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 TSHR 1997/4885MAPK1 2856/4885KDM4E 3713/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR TSHR 530/4885MAPK1 3334/4885KDM4E 2219/4885
US-20040058940-A1 Pharmaceutical formulation comprising thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives (2) PTGER1, PTGIS, PTGIR TSHR 1110/4885MAPK1 2640/4885KDM4E 4841/4885
US-20030022906-A1 Use of pde v inhibitors PDE3A, PDE5A, PDE2A TSHR 4646/4885MAPK1 1218/4885KDM4E 580/4885

“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.