SCHEMBL4869404

SCHEMBL4869404

O=c1[nH]c(C(O)C2(c3ccc(Cl)cc3)CCNCC2)nc2cc(N3CCC(CO)(c4ccc(Cl)cc4)CC3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
HTR6 P50406 1/20 0.35
DCAF15 Q66K64 4/20 0.34
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
PARP14 Q460N5 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
F9 P00740 1/20 0.33
LMNA P02545 1/20 0.33
PTGES O14684 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDGFRB P09619 1/20 0.31
FGFR1 P11362 1/20 0.31

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
SCHEMBL14003524 0.75 PIK3CD (0.55) DRD2DRD4DRD3KDRPARP1
SCHEMBL4874896 0.72 AKT2 (0.45) DCAF15HTR1AHTR7PARP14LMNA
SCHEMBL4869946 0.66 PIK3CD (0.55) DCAF15SLC6A4PARP1
SCHEMBL188283 0.64 SLC6A4 (0.60) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL4877211 0.63 AKT2 (0.44) DCAF15HTR1AHTR7PARP14LMNA
SCHEMBL6975939 0.62 TERT (0.51) KMT2APARP14
SCHEMBL4875291 0.60 PIK3CD (0.58) HTR6DRD2DRD4DRD3PARP1
SCHEMBL19226571 0.60 DRD2 (0.53) DRD2LMNASLC6A2SLC6A4
SCHEMBL1778852 0.58 CYP2D6 (0.69) KMT2ADRD2SMN1; SMN2
SCHEMBL3615305 0.57 SLC6A4 (0.52) DRD2DRD4DRD3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 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-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders CNKSR1, PRKCH, PRKAR2B KMT2A 1763/4885ATM 738/4885HTR6 2011/4885

“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.