SCHEMBL4123055

SCHEMBL4123055

O=C(O)c1ccc2ncc(-c3ccccc3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.58
PDGFRB P09619 3/20 0.56
PDGFRA P16234 3/20 0.56
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 1/20 0.55
MAP4K4 O95819 2/20 0.52
LMNA P02545 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
CSNK1G2 P78368 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
MAP4K5 Q9Y4K4 1/20 0.51
IP6K1 Q92551 2/20 0.48

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
SCHEMBL4398475 0.87 MGAM (0.68) MGAMPDGFRBPDGFRAKDM4ESMN1; SMN2
SCHEMBL4130703 0.87 PDGFRB (0.56) MGAMPDGFRBPDGFRAKDM4ESMN1; SMN2
SCHEMBL8499693 0.87 PDGFRB (0.52) MGAMPDGFRBPDGFRAKDM4ESMN1; SMN2
SCHEMBL8109340 0.84 MGAM (0.68) MGAMPDGFRBPDGFRAMAP4K4CSNK1G2
SCHEMBL8889438 0.83 PDGFRB (0.55) PDGFRBPDGFRAMAP4K4CSNK1G2CLK4
SCHEMBL10465639 0.83 MGAM (0.70) MGAMPDGFRBPDGFRAKDM4ESMN1; SMN2
SCHEMBL2446905 0.79 MET (0.59) KDM4ESMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL28864797 0.79 MET (0.60) MAP4K4MKNK2
SCHEMBL29870028 0.79 MET (0.60) MAP4K4MKNK2
SCHEMBL21819406 0.78 MGAM (0.54) MGAMPDGFRBPDGFRAKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 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 (2 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 MGAM 2546/4885PDGFRB 991/4885PDGFRA 1304/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 MGAM 2546/4885PDGFRB 991/4885PDGFRA 1304/4885

“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.