SCHEMBL7017014

SCHEMBL7017014

NC(=O)CO[CH]c1ccnnc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.32
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL7014661 0.77 HCAR2 (0.38) HCAR2HSD17B10LOXL2
SCHEMBL5547366 0.73 KDM4E (0.44) HCAR2ALDH1A1PKM
SCHEMBL4326419 0.72 HCAR2 (0.43) HCAR2HSD17B10LOXL2TDP1
SCHEMBL7018498 0.67 HCAR2 (0.38) HCAR2HSD17B10LOXL2
SCHEMBL30421014 0.63 LOXL2 (0.54) HCAR2HSD17B10LOXL2
SCHEMBL16891858 0.63 LOXL2 (0.54) HCAR2HSD17B10LOXL2
SCHEMBL194124 0.63
SCHEMBL12499653 0.62 P4HTM (0.53) HCAR2HSD17B10MAPK1POLBTDP1
SCHEMBL12499655 0.62 P4HTM (0.53) HCAR2HSD17B10MAPK1POLBTDP1
SCHEMBL27929948 0.61 CA12 (0.58) HCAR2POLB

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
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US disclosed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 HCAR2 795/4885HSD17B10 1644/4885LOXL2 684/4885

“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.