SCHEMBL6708133

SCHEMBL6708133

COC(=O)Cc1nc(Cl)c2c3c(sc2n1)CCCC3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
HIF1A Q16665 2/20 0.55
ELANE P08246 1/20 0.54
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ABCB1 P08183 2/20 0.47
HPGD P15428 2/20 0.47
THRB P10828 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL15140811 0.89 ABCB1 (0.57) KMT2AGAAMAPTHIF1AKDM4E
SCHEMBL5253644 0.88 KMT2A (0.53) KMT2AGAAMAPTHIF1AELANE
SCHEMBL15148008 0.88 ABCB1 (0.56) KMT2AGAAMAPTHIF1AKDM4E
SCHEMBL6711474 0.86 KMT2A (0.51) KMT2AGAAMAPTHIF1AELANE
SCHEMBL5250125 0.85 KMT2A (0.50) KMT2AGAAMAPTHIF1AELANE
SCHEMBL5249261 0.84 MAPT (0.49) KMT2AGAAMAPTHIF1AELANE
SCHEMBL15145150 0.81 KMT2A (0.61) KMT2AGAAMAPTHIF1AELANE
SCHEMBL15140498 0.81 ALDH1A1 (0.60) KMT2AGAAMAPTHIF1AELANE
SCHEMBL6797413 0.79 KMT2A (0.56) KMT2AGAAMAPTHIF1AELANE
SCHEMBL13164998 0.77 ALDH1A1 (0.51) KMT2AMAPTHIF1AELANEKDM4E

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 8 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-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
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

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 KMT2A 4595/4885GAA 1376/4885MAPT 3466/4885
US-20040034040-A1 Use of thienopyrimidines DPYD, TBXAS1, TYMS KMT2A 4086/4885GAA 2552/4885MAPT 4070/4885
US-20020132818-A1 Thienopyrimidines PDE5A, PDE3B, PDE3A KMT2A 3680/4885GAA 1117/4885MAPT 2897/4885
US-20040072846-A1 Pharmaceutical formulation containing thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives PTGER1, TBXA2R, PTGIS KMT2A 4742/4885GAA 3666/4885MAPT 4422/4885

“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.