SCHEMBL6503238

SCHEMBL6503238

CC(=O)N(C)Cc1nccn1-c1ccc2c(c1)CCN2C(=O)c1cc(C(N)=O)nn1-c1ccc(F)c(C#N)c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.70
F2 P00734 3/20 0.35
F9 P00740 2/20 0.34
CTRB1 P17538 2/20 0.34
F5 P12259 1/20 0.34
PROC P04070 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL6504393 0.91 F10 (0.70) F10F2F9CTRB1F5
SCHEMBL6494300 0.82 F10 (1.00) F10F2F9CTRB1F5
SCHEMBL1999775 0.82 F10 (0.66) F10LMNATSHR
Trifluoroacetic Acid SCHEMBL6495496 0.80 F10 (0.91) F10F2F9CTRB1F5
SCHEMBL2000493 0.77 F10 (0.67) F10F2LMNATSHR
SCHEMBL2000757 0.77 F10 (0.68) F10F2
SCHEMBL6494926 0.73 F10 (1.00) F10F2F9CTRB1F5
SCHEMBL2006365 0.72 F10 (0.67) F10LMNATSHR
Trifluoroacetic Acid SCHEMBL6502964 0.72 F10 (0.92) F10F2F9CTRB1F5
SCHEMBL6506289 0.71 F10 (0.52) F10

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-6949550-B2 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-11-13 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-20030212054-A1 Substituted amino methyl factor Xa inhibitors F11, F10, F9 F10 2/4885F2 12/4885F9 3/4885

“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.