SCHEMBL5083064

SCHEMBL5083064

Cc1cccc(Nc2ccncc2C(N)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.57
PTGS2 P35354 2/20 0.57
KDM4E B2RXH2 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
TBXA2R P21731 1/20 0.53
HIF1A Q16665 1/20 0.53
SYK P43405 7/20 0.50
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
AURKB Q96GD4 3/20 0.48
ZAP70 P43403 1/20 0.48
KCNH2 Q12809 1/20 0.48
CSF1R P07333 1/20 0.48
IMPDH2 P12268 1/20 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
SCHEMBL28283004 0.85 MAPK8 (0.57) SYKAURKBCSF1RSIRT2AURKA
SCHEMBL5078980 0.83 PDE4B (0.64) PTGS1PTGS2SYKAKR1C3AKR1C2
SCHEMBL5078983 0.83 SIRT3 (0.54) PTGS1PTGS2SYKAKR1C3AKR1C2
SCHEMBL479807 0.83 SIRT2 (0.54) PTGS1PTGS2KDM4ESIRT3TDP1
SCHEMBL28284462 0.82 SIRT2 (0.54) AKR1C3AKR1C2SIRT3TDP1SIRT2
SCHEMBL28283015 0.82 SIRT1 (0.56) PTGS1PTGS2SYKAURKBSIRT2
SCHEMBL2714846 0.81 SIRT2 (0.53) KDM4EHIF1AKMT2APKMSIRT3
SCHEMBL11019931 0.81 PTGS1 (0.65) PTGS1PTGS2KDM4ECYP3A4CYP2C9
SCHEMBL9409184 0.81 SYK (0.57) SYKAKR1C3AKR1C2KMT2AAURKB
SCHEMBL28283001 0.81 CCNA2 (0.50) SYKKMT2ASIRT2SIRT1MAPT

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-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 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 (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-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A PTGS1 336/4885PTGS2 380/4885KDM4E 1501/4885

“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.