SCHEMBL3056032

SCHEMBL3056032

COc1ccc(-c2c(-c3ccccc3)c3c(N)ncnc3n2Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.53
KDM4E B2RXH2 3/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
UBE2N P61088 1/20 0.51
SRC P12931 5/20 0.50
EGFR P00533 4/20 0.50
KDR P35968 4/20 0.50
ABL1 P00519 3/20 0.50
ABL2 P42684 2/20 0.50
FYN P06241 1/20 0.48
RIPK2 O43353 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL3053024 1.00 HTT (0.53) HTTKDM4ETSHRMAPK1HSD17B10
SCHEMBL3053593 0.88 MEN1 (0.52) HTTKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL3053808 0.88 MEN1 (0.52) HTTKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL4850780 0.83 EGFR (0.45) HTTKDM4ETSHRMAPK1HSD17B10
SCHEMBL8088060 0.76 MEN1 (0.59) HTTKDM4ETSHRMAPK1HSD17B10
SCHEMBL8089684 0.75 MEN1 (0.56) HTTKDM4ETSHRMAPK1HSD17B10
SCHEMBL3047818 0.75 HTT (0.39) HTTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL16202856 0.74 NPSR1 (0.81) HTTKDM4ETSHRMAPK1HSD17B10
SCHEMBL21120241 0.74 ADRA2C (0.69) HTTKDM4ETSHRMAPK1HSD17B10
SCHEMBL16202884 0.73 ADRA2C (0.82) HTTKDM4ETSHRMAPK1HSD17B10

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 HTT 671/4885KDM4E 3917/4885TSHR 3761/4885

“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.