SCHEMBL5837893

SCHEMBL5837893

CO[C@@H]1CN(C(=O)c2cc3nccc(Cl)c3s2)C[C@H]1OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.37
KDR P35968 3/20 0.37
FLT1 P17948 1/20 0.37
MET P08581 2/20 0.37
POLB P06746 1/20 0.36
CCR3 P51677 2/20 0.35
SIRT3 Q9NTG7 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
PROKR1 Q8TCW9 5/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2C Q14957 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL6302021 1.00 MAPT (0.39) MAPTTP53KDRFLT1MET
SCHEMBL4709508 1.00 MAPT (0.39) MAPTTP53KDRFLT1MET
SCHEMBL5837898 1.00 MAPT (0.39) MAPTTP53KDRFLT1MET
SCHEMBL6753250 0.92 VNN1 (0.38) MAPTTP53KDRFLT1MET
SCHEMBL5240306 0.91 PDE4A (0.40) MAPTTP53KDRFLT1MET
SCHEMBL10224379 0.87 MAPT (0.45) MAPTTP53KDRMETPOLB
SCHEMBL14042997 0.85 TP53 (0.37) MAPTTP53KDRMETPOLB
SCHEMBL6302397 0.85 TP53 (0.37) MAPTTP53KDRMETPOLB
SCHEMBL5244194 0.85 TP53 (0.37) MAPTTP53KDRMETPOLB
SCHEMBL4710650 0.85 TP53 (0.37) MAPTTP53KDRMETPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995171-B2 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents AGOURON PHARMACEUTICALS, INC. (US) 2006-02-07 US disclosed
US-20040171590-A1 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents AUTRY CHRISTOPHER (US) 2004-09-02 US disclosed
WO-2003000194-A2 THIENOPYRIDINE AND THIENOPYRIMIDINE ANTICANCER AGENTS PFIZER INC. (US) 2003-01-03 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-20040171590-A1 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents TK1, TYMP, DPYD MAPT 4250/4885TP53 11/4885KDR 1886/4885

“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.