SCHEMBL5124881

SCHEMBL5124881

O=c1ccc2c(ccn2CCc2ccccc2)n1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MGLL Q99685 1/20 0.39
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
MCHR1 Q99705 1/20 0.38
DAO P14920 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4713845 0.85 BRD4 (0.46) HTTKMT2AALDH1A1MEN1
SCHEMBL6533739 0.79 SLC6A2 (0.33) KMT2AL3MBTL1LMNAMEN1HTR7
SCHEMBL4714110 0.77 LMNA (0.44) HTTKMT2APOLBL3MBTL1ALDH1A1
SCHEMBL4715873 0.76 TP53 (0.46) HTTKMT2APOLBALDH1A1LMNA
SCHEMBL5113137 0.76 HTR6 (0.44) HTTALDH1A1LMNAMAPK1
SCHEMBL5124227 0.76 SMN1; SMN2 (0.43) HTTL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL4716315 0.76 ALDH1A1 (0.47) HTTPOLBALDH1A1LMNAMAPT
SCHEMBL4713858 0.76 MAPT (0.46) KMT2APOLBALDH1A1LMNAMEN1
SCHEMBL4715904 0.76 POLB (0.46) POLBL3MBTL1ALDH1A1LMNA
SCHEMBL4713444 0.73 POLB (0.44) KMT2APOLBATMALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456286-B2 Bicyclic heteroaromatic compounds as kinase inhibitors UCB PHARMA, S.A. (BE) 2008-11-25 US claimed
US-20060122212-A1 Bicyclic heteroaromatic compounds as kinase inhibitors CELLTECH R&D LIMITED (GB) 2006-06-08 US claimed
US-7456286-B2 Bicyclic heteroaromatic compounds as kinase inhibitors UCB PHARMA, S.A. (BE) 2008-11-25 US disclosed
US-20060122212-A1 Bicyclic heteroaromatic compounds as kinase inhibitors CELLTECH R&D LIMITED (GB) 2006-06-08 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 (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-20060122212-A1 Bicyclic heteroaromatic compounds as kinase inhibitors MAP2K2, MAP2K7, MAP2K3 GSK3A 429/4885GSK3B 372/4885MGLL 4389/4885

“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.