SCHEMBL6364797

SCHEMBL6364797

NCOc1ccc2[nH]cnc2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.46
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AGXT P21549 2/20 0.43
PRKCI P41743 1/20 0.42
RAD52 P43351 1/20 0.41
HTR1A P08908 2/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
IP6K1 Q92551 1/20 0.36
DRD2 P14416 1/20 0.35
QPCT Q16769 1/20 0.35
P2RY14 Q15391 2/20 0.35

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
SCHEMBL3162533 0.82 MMP12 (0.50) MMP12MAPTKDM4EALDH1A1
SCHEMBL20627752 0.79 MMP12 (0.47) MMP12HTR1AHTR1BDRD2QPCT
SCHEMBL24158222 0.78 MMP12 (0.42) MMP12
SCHEMBL20627761 0.78 MMP12 (0.50) MMP12MAPTKDM4EALDH1A1APEX1
SCHEMBL225931 0.78 MMP12 (0.73) MMP12MAPTKDM4EALDH1A1APEX1
SCHEMBL22179016 0.77 MMP12 (0.41) MMP12MAPTKDM4EALDH1A1APEX1
SCHEMBL4116942 0.77 IP6K1 (0.62) MAPTKDM4EALDH1A1HTR1DIP6K1
SCHEMBL7013286 0.76 PRKCI (0.51) MMP12MAPTKDM4EALDH1A1APEX1
SCHEMBL16516620 0.76 HTR1B (0.50) MMP12MAPTKDM4ETDP1HTR1A
SCHEMBL16516348 0.76 MMP12 (0.41) MMP12MAPTKDM4EALDH1A1APEX1

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-20050085447-A1 Pyrido[3,4-d]pyrimidine derivatives as matrix metalloproteinase-13 inhibitors WARNER-LAMBERT COMPANY LLC 2005-04-21 US disclosed
WO-2005016926-A1 PYRIDO [3,4-D] PYRIMIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-02-24 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-20050085447-A1 Pyrido[3,4-d]pyrimidine derivatives as matrix metalloproteinase-13 inhibitors MMP13, MMP9, MMP3 MMP12 4/4885MAPT 1978/4885KDM4E 1683/4885

“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.