SCHEMBL4874896

SCHEMBL4874896

Cc1nc2cc(N3CCC(CN)(c4ccc(Cl)cc4)CC3)ccc2c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.45
GSK3B P49841 3/20 0.45
DCAF15 Q66K64 4/20 0.43
TRPV1 Q8NER1 1/20 0.41
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TYMS P04818 1/20 0.38
PARP14 Q460N5 2/20 0.38
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38
LMNA P02545 1/20 0.38
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL4877211 0.83 AKT2 (0.44) AKT2GSK3BDCAF15TRPV1TYMS
SCHEMBL4869946 0.83 PIK3CD (0.55) AKT2GSK3BDCAF15SLC6A4SLC6A3
SCHEMBL16298728 0.77 TERT (0.55) PARP14LMNAGAASMN1; SMN2KDM4E
SCHEMBL14003524 0.73 PIK3CD (0.55) AKT2GSK3BKDRALDH1A1
SCHEMBL4869404 0.72 KMT2A (0.35) DCAF15SLC6A4PARP14HTR1AHTR7
SCHEMBL6670119 0.71 TYMS (0.63) TRPV1TYMSLMNAGAASMN1; SMN2
SCHEMBL4875291 0.69 PIK3CD (0.58) AKT2GSK3BALDH1A1
SCHEMBL4869767 0.67 AKT2 (0.53) AKT2GSK3BKDRALDH1A1
SCHEMBL20509747 0.67 KDM4E (0.59) LMNAGAASMN1; SMN2KDM4ENPC1
SCHEMBL5166600 0.66 SLC6A4 (0.64) AKT2GSK3BSLC6A4SLC6A3

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 8 patents. 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 claimed
EP-1814552-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS Astex Therapeutics Limited (GB) 2007-08-08 EP claimed
WO-2006051290-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-18 WO claimed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
EP-1814552-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS Astex Therapeutics Limited (GB) 2007-08-08 EP disclosed
WO-2006051290-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-18 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-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders CNKSR1, PRKCH, PRKAR2B AKT2 412/4885GSK3B 850/4885DCAF15 4270/4885

“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.