SCHEMBL6095892

SCHEMBL6095892

Nc1nc(N)c2cc(NC(=O)[C@@H]3CCCN3)ccc2n1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.61
SCN3A Q9NY46 3/20 0.49
SCN9A Q15858 3/20 0.49
PSMB8 P28062 2/20 0.48
KHK P50053 1/20 0.47
SCN5A Q14524 1/20 0.45
DHODH Q02127 1/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
TERT O14746 1/20 0.43
DHFR P00374 1/20 0.42

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
SCHEMBL6092610 0.84 ULK1 (0.61) ULK1SCN3ASCN9APSMB8KHK
Hydrochloric Acid SCHEMBL6093765 0.76 EPHX2 (0.58) ULK1SCN3ASCN9APSMB8SCN5A
SCHEMBL4381414 0.76 HTT (0.49)
SCHEMBL4564880 0.75 SCN3A (0.62) ULK1SCN3ASCN9APSMB8KHK
SCHEMBL7788050 0.75 SCN3A (0.62) ULK1SCN3ASCN9APSMB8KHK
SCHEMBL8350468 0.75 DHFR (0.54) DHFR
SCHEMBL3341031 0.74 NPC1 (0.58) ULK1SCN3ASCN9APSMB8IKBKB
SCHEMBL3343865 0.74 NPC1 (0.58) ULK1SCN3ASCN9APSMB8IKBKB
SCHEMBL3341023 0.74 NPC1 (0.58) ULK1SCN3ASCN9APSMB8IKBKB
SCHEMBL20673052 0.73 ULK1 (0.53) ULK1SCN3ASCN9APSMB8KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 WO 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 ULK1 4703/4885SCN3A 3213/4885SCN9A 3058/4885

“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.