SCHEMBL6364795

SCHEMBL6364795

NC(=O)Oc1ccc2[nH]cnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MMP12 P39900 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PRKCI P41743 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
P2RY14 Q15391 4/20 0.38
CYP3A4 P08684 1/20 0.38
P2RY6 Q15077 1/20 0.38

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
SCHEMBL30799511 0.85 RAB9A (0.45) KMT2AMMP12KDM4EALDH1A1MAPT
SCHEMBL3997475 0.85 RAB9A (0.45) KMT2AMMP12KDM4EALDH1A1MAPT
SCHEMBL1875326 0.84 MMP12 (0.46) KMT2AMMP12KDM4EALDH1A1RAB9A
SCHEMBL4603903 0.83 ALDH1A1 (0.41) KMT2AMMP12KDM4EALDH1A1MAPT
SCHEMBL29687408 0.81 MMP12 (0.41) KMT2AMMP12KDM4EALDH1A1MAPT
SCHEMBL4606421 0.81 MMP12 (0.47) KMT2AMMP12KDM4EALDH1A1RAB9A
SCHEMBL11557197 0.81 MMP12 (0.41) KMT2AMMP12KDM4EALDH1A1MAPT
SCHEMBL29687354 0.80 ELANE (0.47) KMT2AMMP12RAB9ANPC1
SCHEMBL30138396 0.80 HTR1A (0.48) KMT2AMMP12KDM4EALDH1A1MAPT
SCHEMBL30138402 0.80 HTR1D (0.47) KMT2AMMP12RAB9ANPC1HDAC6

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 KMT2A 3651/4885MEN1 3333/4885MMP12 4/4885

“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.