SCHEMBL4158845

SCHEMBL4158845

NC(Cc1ccccc1)c1cc(-c2ccc3[nH]c(=O)cc(O)c3c2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
BRD4 O60885 2/20 0.39
F11 P03951 4/20 0.38
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
AKT2 P31751 1/20 0.36
XDH P47989 2/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
AR P10275 1/20 0.35
KLKB1 P03952 1/20 0.34
EGFR P00533 1/20 0.34
PKM P14618 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL938433 0.80 ROCK2 (0.43) ROCK2KDM4EALDH1A1BRD4F11
SCHEMBL938434 0.80 ROCK2 (0.43) ROCK2KDM4EALDH1A1BRD4F11
SCHEMBL1754080 0.78 F11 (0.71) F11KLKB1
SCHEMBL2106205 0.78 F11 (0.71) F11KLKB1
SCHEMBL4146643 0.77 ROCK2 (0.43) ROCK2KDM4EALDH1A1BRD4F11
SCHEMBL1196662 0.75 ROCK2 (0.48) ROCK2KDM4EALDH1A1F11KLKB1
SCHEMBL1196664 0.75 ROCK2 (0.48) ROCK2KDM4EALDH1A1F11KLKB1
SCHEMBL13554564 0.75 ROCK2 (0.48) ROCK2KDM4EALDH1A1BRD4F11
SCHEMBL4150983 0.75 ASIC3 (0.49) KDM4EALDH1A1F11PRKACAPRKACG
SCHEMBL9724160 0.70 KDM4E (0.64) KDM4EALDH1A1BRD4TLR8TLR7

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-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US claimed
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 ROCK2 653/4885KDM4E 1947/4885ALDH1A1 3910/4885

“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.