SCHEMBL4274133

SCHEMBL4274133

N#Cc1c(Cl)ncnc1Nc1ccc(F)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.55
KDR P35968 3/20 0.52
GRM1 Q13255 1/20 0.51
AURKA O14965 2/20 0.50
FBP1 P09467 2/20 0.50
ERBB2 P04626 2/20 0.50
INSR P06213 1/20 0.50
PDGFRB P09619 1/20 0.50
FLT4 P35916 1/20 0.50
CLK1 P49759 1/20 0.50
EPHB4 P54760 1/20 0.50
TEK Q02763 1/20 0.50
AURKB Q96GD4 1/20 0.50
RPS6KB1 P23443 1/20 0.49
GRM4 Q14833 2/20 0.49
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1096688 0.88 EGFR (0.60) EGFRKDRGRM1AURKAFBP1
SCHEMBL4267251 0.87 BCL6 (0.45) EGFRKDRGRM1AURKAFBP1
SCHEMBL4276211 0.81 EGFR (0.55) EGFRKDRAURKAFBP1ERBB2
SCHEMBL6237575 0.79 EGFR (0.64) EGFRKDRGRM1AURKAFBP1
SCHEMBL4267411 0.79 TTBK1 (0.44) EGFRKDRERBB2MAPT
SCHEMBL4268138 0.78 DYRK1A (0.43) EGFRKDRERBB2EPHB4MAPT
SCHEMBL4266699 0.78 SRC (0.48) EGFRERBB2CLK1MAPK1
SCHEMBL4266343 0.78 ERBB2 (0.50) EGFRERBB2GRM4
SCHEMBL4262118 0.78 ERBB2 (0.62) EGFRERBB2
SCHEMBL4266619 0.78 AURKA (0.47) EGFRAURKAERBB2RPS6KB1POLB

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 8 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-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US disclosed
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 US disclosed
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 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
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-2007084815-A2 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-26 WO 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 (2 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 488/4885KDR 913/4885GRM1 3299/4885
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS MAP4K2, MAP3K6, MAP3K2 EGFR 1025/4885KDR 1181/4885GRM1 1880/4885

“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.