SCHEMBL3053808

SCHEMBL3053808

COc1ccc(-c2c(-c3ccccc3)n(Cc3ccccc3)c3ncnc(Cl)c23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NR2F2 P24468 1/20 0.52
HTT P42858 6/20 0.46
ALDH1A1 P00352 6/20 0.46
NPSR1 Q6W5P4 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HPGD P15428 4/20 0.46
MAPT P10636 4/20 0.46
TP53 P04637 4/20 0.46
LMNA P02545 5/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 2/20 0.44
PTBP1 P26599 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL3053593 1.00 MEN1 (0.52) MEN1KMT2ANR2F2HTTALDH1A1
SCHEMBL8088060 0.89 MEN1 (0.59) MEN1KMT2ANR2F2HTTALDH1A1
SCHEMBL3056032 0.88 HTT (0.53) MEN1KMT2AHTTALDH1A1NPSR1
SCHEMBL3053024 0.88 HTT (0.53) MEN1KMT2AHTTALDH1A1NPSR1
SCHEMBL8089684 0.76 MEN1 (0.56) MEN1KMT2ANR2F2HTTALDH1A1
SCHEMBL3047818 0.76 HTT (0.39) MEN1KMT2AHTTALDH1A1NPSR1
SCHEMBL16202856 0.74 NPSR1 (0.81) MEN1KMT2AHTTALDH1A1NPSR1
SCHEMBL4854445 0.74 MEN1 (0.43) MEN1KMT2ANR2F2HTTALDH1A1
SCHEMBL15037969 0.73 NPSR1 (0.82) MEN1KMT2AHTTALDH1A1NPSR1
SCHEMBL14193669 0.73 SRC (0.50) MEN1KMT2ANR2F2HTTALDH1A1

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 MEN1 3217/4885KMT2A 2489/4885NR2F2 1434/4885

“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.