SCHEMBL5581909

SCHEMBL5581909

CNc1ncc2c(-c3cc(Cl)ccc3Cl)ccc(OC)c2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SIK1 P57059 1/20 0.41
SIK2 Q9H0K1 1/20 0.41
SIK3 Q9Y2K2 1/20 0.41
KDR P35968 2/20 0.39
CRHR1 P34998 1/20 0.38
AGPAT2 O15120 3/20 0.37
PLK1 P53350 1/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LRRK2 Q5S007 2/20 0.36
SCN9A Q15858 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
SRC P12931 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CSNK2A1 P68400 1/20 0.35

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
SCHEMBL5582236 0.85 LRRK2 (0.43) ALDH1A1SIK1SIK2SIK3CRHR1
SCHEMBL5581786 0.84 ALDH1A1 (0.41) ALDH1A1SIK2KDRLRRK2SCN9A
SCHEMBL5581811 0.83 PDGFRB (0.43) ALDH1A1SIK2SIK3LRRK2SCN9A
SCHEMBL5582334 0.83 ALDH1A1 (0.40) ALDH1A1SIK2KDRCRHR1AGPAT2
SCHEMBL5582307 0.82 PDE4B (0.41) ALDH1A1SCN9ACSNK2A1
SCHEMBL5581743 0.82 ALDH1A1 (0.40) ALDH1A1SIK2KDR
SCHEMBL5582220 0.81 LRRK2 (0.39) ALDH1A1CRHR1KDM4ELRRK2SRC
SCHEMBL5582165 0.81 SIK1 (0.39) ALDH1A1SIK1SIK2SIK3KDR
SCHEMBL5581749 0.81 FYN (0.43) SIK2SCN9ACSNK2A1
SCHEMBL5582323 0.76 PDGFRB (0.42) ALDH1A1KDRLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225308-A1 2-Amino Quinazoline Derivative KYOWA HAKKO KOGYO CO.,LTD. (JP) 2007-09-27 US disclosed
EP-1726584-A1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-29 EP 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-20070225308-A1 2-Amino Quinazoline Derivative AGTR2, ABL1, AGTR1 ALDH1A1 1519/4885SIK1 2305/4885SIK2 1262/4885

“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.