SCHEMBL6699559

SCHEMBL6699559

COc1ccc(CC#Cc2nc3c(s2)N=CN(Cc2ccc(F)cc2)C3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ACHE P22303 1/20 0.36
RGS4 P49798 1/20 0.35
RGS8 P57771 1/20 0.35
MET P08581 2/20 0.34
TP53 P04637 2/20 0.34
SSTR5 P35346 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
USP2 O75604 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL6818736 0.91 MAPT (0.32) MAPTLMNASMN1; SMN2ACHETP53
SCHEMBL6703494 0.78 DRD4 (0.35) SMN1; SMN2RGS4RGS8METSSTR5
SCHEMBL6703987 0.77 CLPP (0.37) TP53ALDH1A1
SCHEMBL6704154 0.75 MMP13 (0.39) MAPTLMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL6697999 0.71 L3MBTL1 (0.32) MAPTMEN1KMT2AALDH1A1
SCHEMBL6814225 0.69 P2RX7 (0.35) MAPTLMNAACHERGS4RGS8
SCHEMBL6697077 0.68 CLPP (0.31) MAPT
SCHEMBL6697086 0.68 KDM4E (0.30) MAPT
SCHEMBL6697998 0.68 MMP13 (0.45) SMN1; SMN2ALDH1A1TSHR
SCHEMBL6818750 0.65 MMP13 (0.37) MAPTACHEMEN1KMT2ATSHR

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 MAPT 4548/4885LMNA 2847/4885SMN1; SMN2 3684/4885

“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.