SCHEMBL6704376

SCHEMBL6704376

Cn1c(=O)n(Cc2ccc(F)c(F)c2)c(=O)c2nc(C#Cc3ccc(F)cc3)[nH]c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
GPR18 Q14330 1/20 0.34
PKM P14618 3/20 0.34
KMT2A Q03164 3/20 0.34
USP2 O75604 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
BRD4 O60885 1/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
BRDT Q58F21 1/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL6701186 0.84 MMP13 (0.41) NPSR1ADORA2AADORA2BADORA1GPR18
SCHEMBL6704884 0.81 ALDH1A1 (0.40) NPSR1GPR18PKMKMT2AUSP2
SCHEMBL6814878 0.79 ALDH1A1 (0.41) NPSR1PKMKMT2AUSP2ALDH1A1
SCHEMBL6703216 0.77 ADORA2B (0.38) ADORA2AADORA2BADORA1GPR18KMT2A
SCHEMBL6699411 0.72 NPSR1 (0.38) NPSR1GPR18PKMKMT2AUSP2
SCHEMBL6700993 0.71 MAPT (0.38) NPSR1GPR18PKMKMT2AUSP2
SCHEMBL6702279 0.71 LGMN (0.50) ADORA2BPKMKMT2AALDH1A1MAPK1
SCHEMBL6700843 0.70 POLB (0.44) GPR18MAPTPOLBTDP1
SCHEMBL6813950 0.70 POLB (0.45) POLBTDP1
SCHEMBL6390853 0.69 MMP13 (0.62) NPSR1TP53GRIN1GRIN2B

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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 NPSR1 3417/4885ADORA2A 1353/4885ADORA2B 975/4885

“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.