SCHEMBL3052791

SCHEMBL3052791

COC(=O)CCCCCNc1ncnc2sc(-c3ccccc3)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.68
ALDH1A1 P00352 8/20 0.68
LMNA P02545 2/20 0.68
RCE1 Q9Y256 1/20 0.68
RAD52 P43351 2/20 0.67
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
POLB P06746 2/20 0.61
HPGD P15428 5/20 0.60
MAPT P10636 5/20 0.52
CYP1A2 P05177 1/20 0.52
GLA P06280 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
EGFR P00533 2/20 0.51
CSNK2A2 P19784 1/20 0.51

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
SCHEMBL3063533 0.78 KDM4E (0.43) KDM4EALDH1A1LMNARCE1RAD52
SCHEMBL2178050 0.78 AURKA (0.57) EGFR
SCHEMBL15503823 0.76 RAD52 (1.00) KDM4EALDH1A1LMNARCE1RAD52
SCHEMBL13087513 0.75 BCL2 (0.44) KDM4EALDH1A1RAD52MEN1KMT2A
SCHEMBL17200798 0.74 FDPS (0.78) KDM4EALDH1A1LMNARCE1RAD52
SCHEMBL13087523 0.74 MCL1 (0.44) KDM4EALDH1A1RAD52EGFRCSNK2A2
SCHEMBL16375362 0.73 EGFR (0.82) KDM4EALDH1A1LMNARCE1RAD52
SCHEMBL13331132 0.72 EGFR (0.64) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL4525203 0.71 AURKA (0.57) KDM4EALDH1A1LMNARAD52MEN1
SCHEMBL4531678 0.71 AURKA (0.71) KDM4EALDH1A1LMNARAD52MEN1

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-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
EP-2167482-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer Schering Pharma AG (DE) 2010-03-31 EP disclosed
WO-2008155017-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
WO-2008155017-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 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 (1 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-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE HMGCR, PCSK9, FABP3 KDM4E 3917/4885ALDH1A1 1360/4885LMNA 101/4885

“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.