SCHEMBL6699557

SCHEMBL6699557

O=C(NCc1ccccc1)c1nc2c([nH]1)N=CN(Cc1ccc(F)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.47
ALDH1A1 P00352 4/20 0.47
CNR2 P34972 2/20 0.47
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PRKAA2 P54646 1/20 0.42
CLPP Q16740 1/20 0.42
SCD O00767 1/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
MCL1 Q07820 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6700586 0.90 PTGER4 (0.46) ALDH1A1CNR2KMT2AMEN1PTGER4
SCHEMBL6818624 0.76 MMP13 (0.43) POLBPTGER4HPGD
SCHEMBL6698939 0.73 CLPP (0.37) TP53ALDH1A1MAPTCLPPKMT2A
SCHEMBL6822413 0.70 L3MBTL1 (0.46) TP53ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL4935373 0.69 MMP13 (0.57) ALDH1A1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL6699803 0.69 PTGER4 (0.48) ALDH1A1L3MBTL1PTGER4
SCHEMBL6699473 0.69 MAOB (0.45) TP53ALDH1A1MAPTSMN1; SMN2CLPP
SCHEMBL6703233 0.67 MMP13 (0.39) TP53ALDH1A1KMT2AKDM4EMEN1
SCHEMBL6818720 0.67 PTGER4 (0.50) TP53MAPTSMN1; SMN2PTGER4MAOB
SCHEMBL6289376 0.65 SMN1; SMN2 (0.45) TP53ALDH1A1CNR2MAPTSMN1; SMN2

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 TP53 452/4885ALDH1A1 221/4885CNR2 3386/4885

“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.