SCHEMBL5640566

SCHEMBL5640566

CN(C)Cc1nccn1-c1ccc(N2CC(CNC(=O)c3cccc(CN)c3)CC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 10/20 0.40
▸ ROCK2 O75116 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ ITGAV P06756 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ ITGA5 P08648 1/20 0.35
▸ ITGB5 P18084 1/20 0.35
▸ P2RX4 Q99571 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ HDAC1 Q13547 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
SCHEMBL5643197 0.94 F10 (0.42) F10ROCK2TDP1L3MBTL1ITGB3
SCHEMBL5641037 0.91 F10 (0.41) F10ROCK2TDP1L3MBTL1ITGB3
SCHEMBL4594487 0.90 F10 (0.45) F10
SCHEMBL5640393 0.89 F10 (0.41) F10TDP1L3MBTL1ITGB3ITGA2B
SCHEMBL5643102 0.89 F10 (0.46) F10ITGB3ITGB1ITGAVITGA2B
SCHEMBL5639620 0.86 F10 (0.43) F10MAOBTP53HDAC1
SCHEMBL5640680 0.84 F10 (0.50) F10TP53
SCHEMBL5640510 0.83 F10 (0.41) F10ITGB3ITGB1ITGAVITGA2B
SCHEMBL5640581 0.83 F10 (0.50) F10TP53
SCHEMBL5639537 0.82 MAPT (0.45) F10TP53

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-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 — — US disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 — — 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 F10 18/4885ROCK2 4612/4885TDP1 3738/4885

“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.

Send feedback