SCHEMBL5581980

SCHEMBL5581980

CNc1ncc2c(-c3ccc(Cl)cc3)cc(Br)c(OC)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.36
EGFR P00533 2/20 0.36
JAK2 O60674 1/20 0.36
CDK2 P24941 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PTK2B Q14289 1/20 0.36
MERTK Q12866 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
LCK P06239 1/20 0.34
BRAF P15056 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
PDE5A O76074 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5581933 0.89 CCR4 (0.33) NQO2EGFRIDO1TDO2CSNK2A2
SCHEMBL5581881 0.89 KMO (0.37) NQO2EGFRPIK3CAPIK3CBPIK3CG
SCHEMBL5582141 0.88 NQO2 (0.41) NQO2EGFRMERTKIDO1TDO2
SCHEMBL5581567 0.88 CSNK2A1 (0.40) EPHB4
SCHEMBL5582085 0.88 CSNK2A2 (0.38) NQO2EGFRJAK2MEN1KMT2A
SCHEMBL5581982 0.87 PTK2 (0.36) NQO2EGFRBRAF
SCHEMBL5582165 0.86 SIK1 (0.39) NQO2EGFRCSNK2A2CSNK2BALDH1A1
SCHEMBL5581955 0.86 CYP17A1 (0.31) NQO2EGFRALDH1A1PTPN1SIK1
SCHEMBL5582108 0.83 PAK1 (0.39) NQO2EGFRJAK2MERTKLCK
SCHEMBL5582011 0.82 PTK2 (0.47) EGFRMERTKLCKALDH1A1

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 NQO2 7/4885EGFR 1957/4885JAK2 330/4885

“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.