SCHEMBL5581949

SCHEMBL5581949

CCN(CC)c1ncc2c(Br)ccc(OC)c2n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.40
NQO2 P16083 2/20 0.40
TAAR1 Q96RJ0 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GBA1 P04062 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
SCHEMBL5582061 0.84 NQO2 (0.43) NQO2ALDH1A1
SCHEMBL5582304 0.78 NQO2 (0.45) NQO2
SCHEMBL5582326 0.75 CRHR1 (0.35) CRHR1TAAR1ALDH1A1
SCHEMBL30527150 0.75 NQO2 (0.45) NQO2ALDH1A1
SCHEMBL25903679 0.75 NQO2 (0.45) NQO2ALDH1A1
SCHEMBL5582308 0.74 MEN1 (0.38) CRHR1TAAR1ALDH1A1
SCHEMBL5581805 0.72 NQO2 (0.43) NQO2
SCHEMBL2170435 0.69 NQO2 (0.45) NQO2TDP1ALDH1A1
SCHEMBL2170898 0.69 PDE4B (0.50) CRHR1NQO2ALDH1A1
SCHEMBL4700757 0.67 PDE4A (0.50) NQO2ALDH1A1

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 CRHR1 457/4885NQO2 7/4885TAAR1 360/4885

“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.