SCHEMBL6157594

SCHEMBL6157594

[CH2]C#Cc1cnc2cccnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
GRM5 P41594 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
NPC1 O15118 2/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
CASP1 P29466 2/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
NR4A2 P43354 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL9902619 0.82 GRM5 (0.51) ALDH1A1GRM5PDGFRBPDGFRA
SCHEMBL9902735 0.81 PIK3CA (0.42) ALDH1A1GRM5PDGFRBPDGFRAAAK1
SCHEMBL9902843 0.79 AAK1 (0.50) GRM5CYP1A2CYP2C19AAK1
SCHEMBL9903615 0.78 EGLN1 (0.39) ALDH1A1GRM5MAPTPDGFRBPDGFRA
SCHEMBL9903795 0.78 NR4A2 (0.42) ALDH1A1GRM5MAPTPDGFRBPDGFRA
SCHEMBL9903071 0.78 NTRK3 (0.39) ALDH1A1GRM5
SCHEMBL9902856 0.78 GRM5 (0.47) ALDH1A1GRM5MAPTPDGFRBPDGFRA
SCHEMBL30083616 0.78 HPGDS (0.42) ALDH1A1GRM5MAPTHTTMEN1
SCHEMBL2005235 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTNPC1POLB
SCHEMBL1119324 0.78 HPGDS (0.42) ALDH1A1GRM5MAPTHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501519-A1 9-OXIME MACROLIDE ANTIBACTERIALS Abbott Laboratories (US) 2005-02-02 EP claimed
US-20040014691-A1 9-Oxime macrolide antibacterials ABBOTT LABORATORIES 2004-01-22 US claimed
WO-2003090761-A1 9-OXIME MACROLIDE ANTIBACTERIALS ABBOTT LABORATORIES (US) 2003-11-06 WO claimed
EP-1501519-A1 9-OXIME MACROLIDE ANTIBACTERIALS Abbott Laboratories (US) 2005-02-02 EP disclosed
US-20040014691-A1 9-Oxime macrolide antibacterials ABBOTT LABORATORIES 2004-01-22 US disclosed
WO-2003090761-A1 9-OXIME MACROLIDE ANTIBACTERIALS ABBOTT LABORATORIES (US) 2003-11-06 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-20040014691-A1 9-Oxime macrolide antibacterials CYP2C9, CYP1B1, SULT1E1 ALDH1A1 946/4885GRM5 4822/4885KDM4E 2482/4885

“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.