SCHEMBL4000308

SCHEMBL4000308

CSc1ncc(C(C)NC(=O)c2ccccc2)nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
CDK2 P24941 2/20 0.42
MAPK1 P28482 2/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
CDK1 P06493 1/20 0.42
CSF1R P07333 1/20 0.42
PRKACA P17612 1/20 0.42
FLT1 P17948 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AKT1 P31749 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 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
SCHEMBL4000333 0.85 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1LMNANPC1MEN1
SCHEMBL3997753 0.83 MEN1 (0.37) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL3995354 0.79 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNANPC1CDK2
SCHEMBL14931686 0.73 HPGDS (0.56) SMN1; SMN2CDK2MAPK1ROCK2RPS6KA5
SCHEMBL3997375 0.70 NPC1 (0.51) SMN1; SMN2NPC1CDK2MAPK1ROCK2
SCHEMBL29441039 0.70 P2RX3 (0.48) SMN1; SMN2ALDH1A1NPC1
SCHEMBL1101522 0.69 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1LMNANPC1CDK2
SCHEMBL5968858 0.69 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1LMNANPC1CDK2
SCHEMBL751213 0.69 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1LMNANPC1CDK2
SCHEMBL5191520 0.68 HPGDS (0.44) ALDH1A1LMNANPC1MEN1KMT2A

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 6 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 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 SMN1; SMN2 3879/4885ALDH1A1 3450/4885LMNA 1274/4885

“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.