SCHEMBL5887599

SCHEMBL5887599

Cc1nc(N2CC3CC2CN3c2ccc(F)cc2)nc2c1ccc(=O)n2-c1ccc(C(N)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.40
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
HPGD P15428 3/20 0.34
MAPK14 Q16539 1/20 0.33
HPD P32754 1/20 0.32
HTR7 P34969 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
FAAH O00519 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
RXRA P19793 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5887403 0.87 PDE4B (0.39) HDAC1HPGDMAPK14KMT2AMEN1
SCHEMBL5887284 0.83 MAPT (0.40) HDAC1HTR7GAAALDH1A1RXFP1
SCHEMBL5887520 0.83 MEN1 (0.44) HPGDKDM4EGAAKMT2AMEN1
SCHEMBL5887531 0.83 HDAC1 (0.42) HDAC1GAARXRA
SCHEMBL5887581 0.82 KLKB1 (0.38) HDAC1HPGDMAPK14HTR7KMT2A
SCHEMBL5887173 0.81 LMNA (0.39) HTR7GAAALDH1A1
SCHEMBL5887418 0.81 LMNA (0.39) GAAPIK3CAMTORKMT2ARXFP1
SCHEMBL5887409 0.81 CCR1 (0.41) GAAALDH1A1
SCHEMBL5887478 0.81 POLB (0.42) GAAKMT2AALDH1A1
SCHEMBL5887545 0.80 HSD11B1 (0.40) HPGDKDM4EGAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019002-B2 Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents PHARMACIA & UPJOHN, S.P.A. (IT) 2006-03-28 US claimed
US-20040009993-A1 Pyridopyrimidinones derivatives as telomerase inhibitors PHARMACIA ITALIA S.P.A. 2004-01-15 US claimed

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-20040009993-A1 Pyridopyrimidinones derivatives as telomerase inhibitors TERT, TERF2, TERF2IP HDAC1 1062/4885DRD2 4394/4885DRD4 3613/4885

“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.