SCHEMBL5389979

SCHEMBL5389979

CC(C)(C)OC(=O)NCCCNc1nc2nnccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.55
▸ STK17B O94768 1/20 0.45
▸ STK17A Q9UEE5 1/20 0.45
▸ BRD4 O60885 14/20 0.43
▸ PIM1 P11309 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL4640990 0.76 BCHE (0.87) BCHEBRD4TDP1
SCHEMBL2445116 0.70 BCHE (0.74) BCHEBRD4
SCHEMBL31436060 0.70 STK17B (0.58) BCHESTK17BSTK17ABRD4TDP1
SCHEMBL609127 0.70 BCHE (0.47) BCHESTK17BSTK17ABRD4TDP1
SCHEMBL3778944 0.68 HRH3 (0.59) STK17BSTK17ABRD4
SCHEMBL14907973 0.68 STK17B (0.65) BCHESTK17BSTK17ABRD4TDP1
SCHEMBL14907974 0.68 STK17B (0.59) BCHESTK17BSTK17ABRD4TDP1
SCHEMBL569251 0.68 TDP1 (0.74) STK17BSTK17ATDP1
SCHEMBL31087165 0.67 HPGD (0.46) BCHESTK17BSTK17A
SCHEMBL4700870 0.67 TDP1 (0.53) STK17BSTK17ABRD4TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2007-09-13 — — US disclosed
US-7220757-B2 Compositions and methods for topical administration of 2-NH-heteroarylimidazoles REPLIDYNE, INC. (US) 2007-05-22 — — US disclosed
US-20060128735-A1 Substituted thiophenes with antibacterial activity REPLIDYNE, INC. (US) 2006-06-15 — — US disclosed
US-7030137-B2 Substituted thiophenes with antibacterial activity REPLIDYNE, INC. (US) 2006-04-18 — — US disclosed
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity BERGE JOHN 2006-01-19 — — US disclosed
EP-1603881-A2 SUBSTITUTED THIOPHENES WITH ANTIBACTERIAL ACTIVITY Replidyne, Inc. (US) 2005-12-14 — — EP disclosed
EP-1581220-A2 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY Replidyne, Inc. (US) 2005-10-05 — — EP disclosed
US-6943175-B2 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. (US) 2005-09-13 — — US disclosed
US-20050009833-A1 Substituted thiophenes with antibacterial activity REPLIDYNE, INC. 2005-01-13 — — US disclosed
WO-2004078119-A2 SUBSTITUTED THIOPHENES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE INC. (US) 2004-09-16 — — WO disclosed
US-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. 2004-07-29 — — US disclosed
WO-2004052288-A2 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2004-06-24 — — 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 (5 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-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity NSUN3, TRMT1, NOP2 BCHE 2921/4885STK17B 2936/4885STK17A 1959/4885
US-20050009833-A1 Substituted thiophenes with antibacterial activity TST, MTR, NSUN3 BCHE 1197/4885STK17B 1864/4885STK17A 2060/4885
US-20060128735-A1 Substituted thiophenes with antibacterial activity TST, MTR, NSUN3 BCHE 1197/4885STK17B 1864/4885STK17A 2060/4885
US-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY MET, ASNS, MRPS22 BCHE 1927/4885STK17B 2377/4885STK17A 1583/4885
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity TRMT1, NSUN3, NOP2 BCHE 2752/4885STK17B 2652/4885STK17A 1799/4885

“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.

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