SCHEMBL5581955

SCHEMBL5581955

CNc1ncc2c(-c3cncc(Cl)c3)cc(Br)c(OC)c2n1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PTPN1 P18031 1/20 0.31
SIK1 P57059 1/20 0.31
SIK2 Q9H0K1 1/20 0.31
SIK3 Q9Y2K2 1/20 0.31
PTK2 Q05397 1/20 0.31
NQO2 P16083 1/20 0.30
EGFR P00533 1/20 0.30
CSNK2A1 P68400 1/20 0.30
IDH1 O75874 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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 0.90 CCR4 (0.33) SIK1SIK2SIK3NQO2EGFR
SCHEMBL5581980 0.86 NQO2 (0.36) PTPN1SIK1SIK2SIK3NQO2
SCHEMBL5582085 0.86 CSNK2A2 (0.38) NQO2EGFRCSNK2A1
SCHEMBL5581557 0.84 POLQ (0.35)
SCHEMBL5581982 0.83 PTK2 (0.36) PTK2NQO2EGFR
SCHEMBL5582011 0.82 PTK2 (0.47) CYP17A1CYP11B1CYP11B2PTK2EGFR
SCHEMBL5582165 0.82 SIK1 (0.39) PTPN1SIK1SIK2SIK3NQO2
SCHEMBL5581881 0.82 KMO (0.37) SIK2NQO2EGFR
SCHEMBL5581567 0.82 CSNK2A1 (0.40) CSNK2A1
SCHEMBL5582141 0.81 NQO2 (0.41) PTK2NQO2EGFRCSNK2A1

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 CYP17A1 1893/4885CYP11B1 652/4885CYP11B2 234/4885

“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.