SCHEMBL6102487

SCHEMBL6102487

O=C(O)c1cccc2[nH]c(NCc3ccc(-c4ccncc4)cc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.51
KDM4C Q9H3R0 2/20 0.51
KDM5B Q9UGL1 1/20 0.51
PARP1 P09874 3/20 0.50
PARP2 Q9UGN5 1/20 0.50
PKN1 Q16512 4/20 0.46
PKN2 Q16513 4/20 0.46
ROCK2 O75116 2/20 0.46
MAP4K4 O95819 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
PLK4 O00444 1/20 0.46
MAPK13 O15264 1/20 0.46
DYRK3 O43781 1/20 0.46
RPS6KA5 O75582 1/20 0.46
PRKD3 O94806 1/20 0.46
CHEK2 O96017 1/20 0.46
PIM1 P11309 1/20 0.46
PHKG2 P15735 1/20 0.46
PRKACA P17612 1/20 0.46

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
SCHEMBL6103487 0.90 KDM4C (0.56) DHODHKDM4CKDM5BPARP1PARP2
SCHEMBL4238754 0.81 MAOB (0.55) DHODHPARP1PARP2PKN1PKN2
SCHEMBL6102871 0.80 KDM4C (0.54) DHODHKDM4CPARP1PARP2PKN1
SCHEMBL505315 0.78 DHODH (0.82) DHODHPARP1PARP2PKN1PKN2
SCHEMBL6843631 0.77 PARP1 (0.59) DHODHPARP1PARP2CHEK2RPS6KB1
SCHEMBL7474958 0.75 PKN1 (0.77) DHODHPARP1PARP2PKN1PKN2
SCHEMBL4239800 0.72 DHODH (0.47) DHODHPARP1RIPK1KDM4EHPGD
SCHEMBL4243664 0.71 DHODH (0.62) DHODHPARP1KDM4EHPGD
SCHEMBL10212013 0.71 DHODH (0.78) DHODHPARP1
SCHEMBL4244619 0.70 DHODH (0.54) DHODHPARP1PARP2PKN1PKN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors PFIZER INC. 2006-10-12 US claimed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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 (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-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors SLC1A2, SLC1A1, GLRA1 DHODH 2310/4885KDM4C 3137/4885KDM5B 3951/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP DHODH 907/4885KDM4C 2977/4885KDM5B 2014/4885

“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.