SCHEMBL4259754

SCHEMBL4259754

N#Cc1c(Cl)ncnc1Nc1cc(OCc2cccc(F)c2)c(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.52
ERBB2 P04626 15/20 0.52
ERBB3 P21860 1/20 0.50
ERBB4 Q15303 1/20 0.50
GAK O14976 1/20 0.49
KDM4E B2RXH2 1/20 0.47
GAA P10253 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
SCHEMBL5320281 0.80 EGFR (0.80) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL1095136 0.76 EGFR (0.82) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL4268667 0.76 SRC (0.58) EGFRERBB2
SCHEMBL4268138 0.76 DYRK1A (0.43) EGFRERBB2KDM4EGAA
SCHEMBL4262118 0.74 ERBB2 (0.62) EGFRERBB2ERBB3ERBB4
SCHEMBL28347182 0.72 EGFR (0.74) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL4266452 0.71 TTBK1 (0.47) EGFRERBB2ERBB3ERBB4
SCHEMBL4261215 0.70 EGFR (0.63) EGFRERBB2ERBB4
SCHEMBL4264957 0.69 ERBB2 (0.60) EGFRERBB2
SCHEMBL6977418 0.69 EGFR (0.75) EGFRERBB2ERBB3ERBB4GAK

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 67/4885ERBB3 195/4885

“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.