SCHEMBL5581805

SCHEMBL5581805

CNc1ncc2c(Br)ccc(OC)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.43
CDK1 P06493 2/20 0.36
CDK4 P11802 2/20 0.36
CCNB1 P14635 2/20 0.36
CCND1 P24385 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
NPC1 O15118 2/20 0.35
LRRK2 Q5S007 1/20 0.35
EGFR P00533 2/20 0.34
AXL P30530 1/20 0.34

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
SCHEMBL30527150 0.78 NQO2 (0.45) NQO2IDO1TDO2NPC1
SCHEMBL25903679 0.78 NQO2 (0.45) NQO2IDO1TDO2NPC1
SCHEMBL5582304 0.78 NQO2 (0.45) NQO2P2RX3P2RX2JAK2JAK1
SCHEMBL5582243 0.77 IDO1 (0.42) NQO2CDK1CDK4CCNB1CCND1
SCHEMBL5582341 0.76 PDE4D (0.45) NPC1MEN1KMT2A
SCHEMBL5582061 0.76 NQO2 (0.43) NQO2IDO1TDO2NPC1EGFR
SCHEMBL5581786 0.75 ALDH1A1 (0.41) CDK2JAK2LRRK2EGFRTYRO3
SCHEMBL5581664 0.74 CDK4 (0.46) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL5582174 0.74 CDK4 (0.44) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL5582236 0.74 LRRK2 (0.43) CDK1CDK4CCNB1CCND1CCNE1

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 7/4885CDK1 2373/4885CDK4 2372/4885

“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.