SCHEMBL4153779

SCHEMBL4153779

NC(Cc1ccccc1)c1ccnc(-c2ccnc(F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
AKT2 P31751 1/20 0.39
IDO1 P14902 1/20 0.38
DPP4 P27487 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL4153941 0.86 ASIC3 (0.49) F11PRKACAPRKACGPRKACBAKT2
SCHEMBL4146117 0.85 F11 (0.40) F11PRKACAPRKACGPRKACBAKT2
SCHEMBL1196770 0.72 ROCK2 (0.47) F11MAPK13MAPK12MAPK11MAPK14
SCHEMBL8867023 0.68 SLC6A2 (0.66) PRKACAPRKACGPRKACBAKT2DPP4
SCHEMBL28155744 0.68 IDO1 (0.51) IDO1MAP4K4MINK1TNIKMAPT
SCHEMBL28893947 0.68 SLC6A2 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3282229 0.67 IDO1 (0.49) IDO1SLC6A2SLC6A4SLC6A3EPHX1
SCHEMBL2329787 0.67 F11 (0.47) F11SLC6A2SLC6A4SLC6A3AAK1
Hydrochloric Acid SCHEMBL9321422 0.67 SLC6A2 (0.63) PRKACAPRKACGPRKACBAKT2DPP4
SCHEMBL3174991 0.66 ALDH1A1 (0.54) MAPT

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-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 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-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 F11 2/4885PRKACA 1404/4885PRKACG 2343/4885

“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.