SCHEMBL6700792

SCHEMBL6700792

O=C(O)c1nc2c(o1)N=CN(Cc1ccc(F)cc1)C2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KDM4A O75164 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
LMNA P02545 1/20 0.32
ENPP2 Q13822 1/20 0.32
P2RY14 Q15391 2/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL6822412 0.89 LMNA (0.37) TP53HTTNPC1RAB9APTGDR2
SCHEMBL6822413 0.81 L3MBTL1 (0.46) TP53ALDH1A1
SCHEMBL6697086 0.75 KDM4E (0.30)
SCHEMBL6699577 0.74 MMP13 (0.36) TP53HTTALDH1A1
SCHEMBL6702617 0.74 MMP13 (0.41) NPC1RAB9AALDH1A1
SCHEMBL6702349 0.74 CLPP (0.35) TP53HTTRAB9AALDH1A1KDM4A
SCHEMBL6819967 0.71 MMP13 (0.39) NPC1RAB9AALDH1A1
SCHEMBL6819953 0.70 MMP13 (0.38) NPC1RAB9AALDH1A1
SCHEMBL6699527 0.69 ENPP2 (0.36) KDM4AKDM5AKDM4CKDM5BENPP2
SCHEMBL6699557 0.65 TP53 (0.47) TP53NPC1RAB9AALDH1A1LMNA

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
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 TP53 452/4885HTT 4755/4885NPC1 3266/4885

“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.