SCHEMBL6762819

SCHEMBL6762819

COC(=O)c1ccc(-c2nc(Cl)c3c(n2)sc2ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ PDE5A O76074 1/20 0.44
▸ ABCC1 P33527 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ MAPT P10636 7/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TNKS O95271 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ ATM Q13315 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KDR P35968 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ GAA P10253 3/20 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
SCHEMBL6241041 0.85 CNR1 (0.39) KMT2AMAPK1LMNAMAPTNPC1
SCHEMBL18553242 0.81 NPC1 (0.47) KMT2AMEN1LMNAPDE5AABCG2
SCHEMBL8170324 0.80 ALDH1A1 (0.49) KMT2AMEN1LMNAABCG2MAPT
SCHEMBL8179296 0.80 KDM4E (0.49) KMT2AMEN1LMNAMAPTTP53
SCHEMBL6760805 0.77 MEN1 (0.46) KMT2AMEN1PDE5AMAPTKDM4E
SCHEMBL8169721 0.76 KDM4E (0.45) KMT2AMEN1LMNAPDE5AABCC1
SCHEMBL5355080 0.75 LMNA (0.51) MAPK1LMNAPDE5AABCC1ABCG2
SCHEMBL19660799 0.75 ALDH1A1 (0.38) KMT2AMEN1LMNAMAPTTP53
SCHEMBL8177925 0.75 POLB (0.55) KMT2AMEN1LMNAMAPTTP53
SCHEMBL8170042 0.75 MAPT (0.43) KMT2AMEN1LMNAMAPTTP53

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 6 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-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
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
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 (3 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 KMT2A 4595/4885MEN1 3785/4885MAPK1 2856/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR KMT2A 4594/4885MEN1 3633/4885MAPK1 3334/4885
US-20030022906-A1 Use of pde v inhibitors PDE3A, PDE5A, PDE2A KMT2A 3295/4885MEN1 3082/4885MAPK1 1218/4885

“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.

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