SCHEMBL4877211

SCHEMBL4877211

Cc1nc2cc(N3CCC(N)(Cc4ccc(Cl)cc4)CC3)ccc2c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 6/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
RPS6KB1 P23443 1/20 0.44
AKT1 P31749 1/20 0.44
GSK3B P49841 1/20 0.44
TRPV1 Q8NER1 1/20 0.40
TYMS P04818 1/20 0.38
PARP14 Q460N5 2/20 0.38
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38
CYP3A4 P08684 1/20 0.37
PTGES O14684 1/20 0.37
LMNA P02545 1/20 0.37
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
DCAF15 Q66K64 1/20 0.37

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
SCHEMBL4874896 0.83 AKT2 (0.45) AKT2GSK3BTRPV1TYMSPARP14
SCHEMBL4865960 0.82 PIK3CD (0.55) AKT2CYP2D6CYP2C9RPS6KB1AKT1
SCHEMBL16298728 0.76 TERT (0.55) PARP14LMNA
SCHEMBL4869767 0.71 AKT2 (0.53) AKT2CYP2D6CYP2C9RPS6KB1AKT1
SCHEMBL6670119 0.70 TYMS (0.63) TRPV1TYMSLMNA
SCHEMBL4876064 0.68 AKT2 (0.44) AKT2GSK3BLMNA
SCHEMBL20509747 0.66 KDM4E (0.59) LMNA
SCHEMBL4875291 0.66 PIK3CD (0.58) AKT2GSK3B
SCHEMBL4869946 0.66 PIK3CD (0.55) AKT2AKT1GSK3BDCAF15
SCHEMBL8267927 0.65 AKT2 (0.49) AKT2CYP2D6CYP2C9RPS6KB1AKT1

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 AKT2 412/4885CYP2D6 4109/4885CYP2C9 4521/4885

“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.