SCHEMBL6702349

SCHEMBL6702349

O=C(O)c1nc2c([nH]1)N=CN(Cc1ccc(F)cc1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FAAH O00519 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 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
RAB9A P51151 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 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
SCHEMBL6699557 0.84 TP53 (0.47) CLPPLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6700792 0.74 TP53 (0.33) LMNAHTTSLC6A3ALDH1A1TP53
SCHEMBL6703233 0.70 MMP13 (0.39) KDM4ESLC6A3ALDH1A1TP53
SCHEMBL6822412 0.66 LMNA (0.37) LMNAHTTSMN1; SMN2TP53KDM4A
SCHEMBL9721642 0.63 CLPP (0.37) CLPPLMNAHTTKDM4EPKM
SCHEMBL7492371 0.59 MEN1 (0.42) LMNAKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL1959677 0.59 CYP11B1 (0.38) CLPPHTTKDM4ESMN1; SMN2TP53
SCHEMBL15964637 0.59 BRS3 (0.41) LMNAPKMALDH1A1MAPTHPGD
SCHEMBL2343884 0.59 LOXL2 (0.33) CLPPLMNAALDH1A1POLBMAPT
SCHEMBL7192267 0.56 P2RY14 (0.56) KDM4EALDH1A1KDM4AKDM5AKDM4C

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
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
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 CLPP 3282/4885LMNA 2847/4885HTT 4755/4885

“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.