SCHEMBL4268627

SCHEMBL4268627

N#Cc1c(Cl)ncnc1Nc1ccc(Sc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.44
ERBB2 P04626 1/20 0.44
ABCG2 Q9UNQ0 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BCL6 P41182 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
TTBK1 Q5TCY1 1/20 0.40
TTBK2 Q6IQ55 1/20 0.40
DYRK3 O43781 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
CLK2 P49760 1/20 0.40
IRAK1 P51617 1/20 0.40
CSNK2A1 P68400 1/20 0.40
MAP4K2 Q12851 1/20 0.40
DYRK1A Q13627 1/20 0.40
PIM3 Q86V86 1/20 0.40
HIPK4 Q8NE63 1/20 0.40

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
SCHEMBL1673854 0.84 PIP4K2A (0.47) EGFRERBB2ABCG2BCL6CA1
SCHEMBL4269335 0.82 EGFR (0.52) EGFRERBB2ABCG2MEN1KMT2A
SCHEMBL4264958 0.82 KDR (0.54) EGFRERBB2ABCG2MEN1KMT2A
SCHEMBL4267411 0.78 TTBK1 (0.44) EGFRERBB2ABCG2MEN1KMT2A
SCHEMBL1673846 0.74 BCL6 (0.43) EGFRERBB2ABCG2MEN1KMT2A
SCHEMBL4267388 0.73 TSHR (0.53) EGFRERBB2BCL6TTBK1TTBK2
SCHEMBL4261461 0.73 EGFR (0.60) EGFRERBB2
SCHEMBL4264905 0.73 EGFR (0.51) EGFRERBB2ABCG2DYRK1AHIPK4
SCHEMBL4275266 0.73 TTBK1 (0.52) EGFRERBB2MEN1KMT2ABCL6
SCHEMBL4274133 0.72 EGFR (0.55) EGFRERBB2AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US disclosed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 US disclosed
WO-2006118749-A1 THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-09 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-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide ADK, MAP3K9, MAP4K5 EGFR 488/4885ERBB2 67/4885ABCG2 431/4885

“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.