SCHEMBL6093307

SCHEMBL6093307

Nc1nc(N)c2cc(NC(=O)C[C@@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)Cc3ccccc3)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.39
DHFR P00374 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
F2 P00734 3/20 0.38
F10 P00742 2/20 0.37
PLG P00747 2/20 0.37
PLAU P00749 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA5 P08648 1/20 0.37

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
SCHEMBL6094675 0.90 MAP4K4 (0.46) ST14F2
SCHEMBL6971958 0.80 F2 (0.42) F2F10PLG
SCHEMBL6093293 0.74 F2 (0.46) F2F10PLG
SCHEMBL6964921 0.71 F2 (0.41) F2F10PLG
SCHEMBL6092150 0.68 TSHR (0.63)
SCHEMBL4969268 0.68 NPSR1 (0.50) DHFR
SCHEMBL8222070 0.67 DHFR (0.57) DHFR
SCHEMBL6092574 0.67 XIAP (0.44) F2F10PLG
SCHEMBL4381414 0.67 HTT (0.49)
SCHEMBL7072382 0.66 DHFR (0.51) DHFRPLAU

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US claimed
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US disclosed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 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-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 ST14 1087/4885DHFR 640/4885HCRTR1 3293/4885

“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.