SCHEMBL6704884

SCHEMBL6704884

COc1ccc(CC#Cc2nc3c(=O)n(Cc4ccc(F)c(F)c4)c(=O)n(C)c3[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
MAPT P10636 7/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
P2RX7 Q99572 1/20 0.35
THRB P10828 1/20 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
SCHEMBL6814878 0.97 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL6701186 0.90 MMP13 (0.41) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL6704376 0.81 NPSR1 (0.37) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL6702279 0.79 LGMN (0.50) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL6814882 0.78 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL6698004 0.76 MAPT (0.41) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL6697974 0.75 MAPT (0.40) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL6703216 0.74 ADORA2B (0.38) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL6699350 0.73 P2RX7 (0.35) MAPK1GAAP2RX7
SCHEMBL6843728 0.71 MMP13 (0.48) GPR18

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US 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 ALDH1A1 221/4885MAPT 4548/4885MEN1 4003/4885

“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.