SCHEMBL4273005

SCHEMBL4273005

N#Cc1c(Cl)ncnc1Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTBK1 Q5TCY1 1/20 0.54
▸ TTBK2 Q6IQ55 1/20 0.54
▸ MAPT P10636 7/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ HTT P42858 4/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ AHR P35869 1/20 0.52
▸ TSHR P16473 1/20 0.48
▸ NR4A1 P22736 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SYK P43405 1/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ TBK1 Q9UHD2 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45

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
SCHEMBL4267411 0.75 TTBK1 (0.44) TTBK1TTBK2MAPTKDM4EMEN1
SCHEMBL1673854 0.73 PIP4K2A (0.47) MAPTHTTTSHREGFRBCL6
SCHEMBL4891594 0.72 MAPT (0.77) TTBK1TTBK2MAPTNPC1POLB
SCHEMBL18910875 0.72 AR (0.61) —
SCHEMBL4886107 0.71 MAPT (0.67) TTBK1TTBK2MAPTNPC1POLB
SCHEMBL4269335 0.71 EGFR (0.52) NPC1RAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL4268627 0.71 EGFR (0.44) TTBK1TTBK2MEN1KMT2AALDH1A1
SCHEMBL4264958 0.71 KDR (0.54) TTBK1TTBK2MAPTHTTMEN1
SCHEMBL16234787 0.70 SYK (0.57) MAPTMAPK1KDM4ESMN1; SMN2MEN1
SCHEMBL2194198 0.70 JAK2 (0.56) TTBK1TTBK2MAPTNPC1HTT

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 TTBK1 118/4885TTBK2 161/4885MAPT 1795/4885

“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.

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