SCHEMBL389078

SCHEMBL389078

N#Cc1ccc(-c2c[nH]c([C@H](Cc3ccccc3)NC(=O)c3ccc4c(N)n[nH]c4c3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 16/20 0.61
PRSS1 P07477 5/20 0.61
PRSS2 P07478 5/20 0.61
PRSS3 P35030 5/20 0.61
KLK1 P06870 2/20 0.45
KLKB1 P03952 6/20 0.43
F7 P08709 3/20 0.43
F10 P00742 2/20 0.43
F12 P00748 2/20 0.43
PLG P00747 1/20 0.43
TRPA1 O75762 1/20 0.43
CDC7 O00311 1/20 0.41
DAPK3 O43293 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
PIM1 P11309 1/20 0.41
CDK2 P24941 1/20 0.41
FLT3 P36888 1/20 0.41
CSNK1A1 P48729 1/20 0.41

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
SCHEMBL1281452 0.89 F11 (0.63) F11PRSS1PRSS2PRSS3KLK1
SCHEMBL1281446 0.89 F11 (0.63) F11PRSS1PRSS2PRSS3KLK1
SCHEMBL392698 0.85 KDM4E (0.47) F11KLKB1
SCHEMBL5517905 0.85 KDM4E (0.47) F11KLKB1
SCHEMBL393746 0.82 F11 (0.55) F11PRSS1PRSS2PRSS3KLK1
SCHEMBL393745 0.82 F11 (0.55) F11PRSS1PRSS2PRSS3KLK1
SCHEMBL392202 0.82 ROCK2 (0.41) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL394811 0.76 TACR3 (0.38) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL392725 0.76 F11 (1.00) F11PRSS1PRSS2PRSS3KLK1
SCHEMBL1281251 0.76 F11 (1.00) F11PRSS1PRSS2PRSS3KLK1

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-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 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-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 F11 2/4885PRSS1 19/4885PRSS2 54/4885

“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.