SCHEMBL3995502

SCHEMBL3995502

COc1cc(Nc2ncc3c(C)nc(-c4cc5ccccc5[nH]4)n3n2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NEK5 Q6P3R8 1/20 1.00
PLK1 P53350 15/20 0.71
PLK3 Q9H4B4 2/20 0.71
CDK2 P24941 1/20 0.71
PTK2 Q05397 2/20 0.49
JAK2 O60674 1/20 0.49
INSR P06213 1/20 0.49
ALK Q9UM73 1/20 0.49
IGF1R P08069 2/20 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
SCHEMBL3994664 0.83 PLK1 (1.00) NEK5PLK1PLK3CDK2PTK2
SCHEMBL3994224 0.82 PLK1 (1.00) NEK5PLK1PLK3CDK2PTK2
SCHEMBL3994431 0.82 PLK1 (1.00) NEK5PLK1PLK3CDK2PTK2
SCHEMBL4127852 0.81 PLK1 (0.73) NEK5PLK1PLK3CDK2PTK2
SCHEMBL3994202 0.80 PLK1 (0.83) NEK5PLK1PLK3CDK2PTK2
SCHEMBL3991816 0.79 PLK1 (0.71) NEK5PLK1PLK3CDK2PTK2
SCHEMBL3992146 0.79 PLK1 (0.68) NEK5PLK1PLK3CDK2PTK2
SCHEMBL3994128 0.78 PLK1 (0.71) NEK5PLK1PLK3CDK2PTK2
SCHEMBL3994489 0.77 PLK1 (0.75) NEK5PLK1PLK3CDK2PTK2
SCHEMBL3995532 0.77 PLK1 (1.00) NEK5PLK1PLK3CDK2PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608656-B1 IMIDAZOTRIAZINE COMPOUNDS FOR THE TREATMENT OF CANCER DISEASES SMITHKLINE BEECHAM CORP (US) 2009-06-03 EP claimed
US-7462614-B2 Imidazotriazine compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-12-09 US claimed
US-20060217382-A1 7-(2-Bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine; to treat neoplasms; polo like kinases inhibitors; antineoplastic/antiproliferative agents; cyclization of 1,2,4-triazine derivatives; coupling if imidazo[5,1-f][1,2,4]triazines with amine or halogen derivatives SMITHKLINE BEECHAM CORPORATION 2006-09-28 US claimed
EP-1608656-B1 IMIDAZOTRIAZINE COMPOUNDS FOR THE TREATMENT OF CANCER DISEASES SMITHKLINE BEECHAM CORP (US) 2009-06-03 EP disclosed
EP-1608656-B1 IMIDAZOTRIAZINE COMPOUNDS FOR THE TREATMENT OF CANCER DISEASES SMITHKLINE BEECHAM CORP (US) 2009-06-03 EP disclosed
US-7462614-B2 Imidazotriazine compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-12-09 US disclosed
US-7462614-B2 Imidazotriazine compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-12-09 US disclosed
US-7462614-B2 Imidazotriazine compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-12-09 US disclosed
US-20060217382-A1 7-(2-Bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine; to treat neoplasms; polo like kinases inhibitors; antineoplastic/antiproliferative agents; cyclization of 1,2,4-triazine derivatives; coupling if imidazo[5,1-f][1,2,4]triazines with amine or halogen derivatives SMITHKLINE BEECHAM CORPORATION 2006-09-28 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-20060217382-A1 7-(2-Bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine; to treat neoplasms; polo like kinases inhibitors; antineoplastic/antiproliferative agents; cyclization of 1,2,4-triazine derivatives; coupling if imidazo[5,1-f][1,2,4]triazines with amine or halogen derivatives PLK2, PLK1, CDKL5 NEK5 118/4885PLK1 2/4885PLK3 43/4885

“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.