SCHEMBL4871638

SCHEMBL4871638

CSc1nncc(C(C)NC(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
MAPT P10636 8/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.34
NTRK1 P04629 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL3997753 0.78 MEN1 (0.37) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL3248203 0.75 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL28007162 0.68 MAPT (0.54) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL11339444 0.68 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL4000308 0.66 SMN1; SMN2 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL17225381 0.65 MAPT (0.50) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL844567 0.65
SCHEMBL16397013 0.64 STAT3 (0.42) ALDH1A1SMN1; SMN2NTRK1
SCHEMBL6392481 0.62 PARP1 (0.49) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL11631291 0.62 ALDH1A1 (0.63) ALDH1A1MAPTKMT2AMEN1CYP1A2

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-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
EP-1608656-A2 IMIDAZOTRIAZINE COMPOUNDS SmithKline Beecham Corporation (US) 2005-12-28 EP disclosed
WO-2004087652-A2 IMIDAZOTRIAZINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-10-14 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-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 ALDH1A1 3450/4885MAPT 2687/4885KMT2A 542/4885

“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.