SCHEMBL5582304

SCHEMBL5582304

COc1ccc(Br)c2cnc(N)nc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.45
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
KDR P35968 1/20 0.43
JAK3 P52333 1/20 0.43
AURKB Q96GD4 1/20 0.43
DHFR P00374 4/20 0.40
HTT P42858 1/20 0.40
P2RX3 P56373 2/20 0.40
P2RX2 Q9UBL9 2/20 0.40
ADORA1 P30542 1/20 0.39

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 0.81 NQO2 (0.43) NQO2HTT
SCHEMBL30527150 0.81 NQO2 (0.45) NQO2
SCHEMBL25903679 0.81 NQO2 (0.45) NQO2
SCHEMBL5581805 0.78 NQO2 (0.43) NQO2JAK2JAK1TYK2JAK3
SCHEMBL5581949 0.78 CRHR1 (0.40) NQO2
SCHEMBL5582298 0.76 ADORA1 (0.53) JAK2JAK1TYK2KDRJAK3
SCHEMBL2170435 0.75 NQO2 (0.45) NQO2
SCHEMBL31495886 0.74 NQO2 (0.43) NQO2KDR
SCHEMBL2554129 0.72 ALOX5AP (0.42) NQO2P2RX3P2RX2
SCHEMBL681786 0.71 NQO2 (0.50) NQO2ADORA1

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 7/4885JAK2 330/4885JAK1 926/4885

“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.