SCHEMBL5582298

SCHEMBL5582298

COc1ccc(-c2ccccc2)c2cnc(N)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.53
ADORA2A P29274 4/20 0.50
P2RX3 P56373 1/20 0.46
P2RX2 Q9UBL9 1/20 0.46
IDO1 P14902 2/20 0.44
TDO2 P48775 2/20 0.44
JAK2 O60674 2/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
KDR P35968 1/20 0.42
JAK3 P52333 1/20 0.42
AURKB Q96GD4 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 2/20 0.41
ACACA Q13085 1/20 0.41
GFER P55789 1/20 0.41
DHFR P00374 1/20 0.41
CHEK1 O14757 1/20 0.41

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
SCHEMBL5582014 0.84 DHFR (0.54) ADORA1ADORA2ATDO2JAK2JAK1
SCHEMBL5582243 0.81 IDO1 (0.42) ADORA1ADORA2AIDO1TDO2NPC1
SCHEMBL5581996 0.80 AKR1C3 (0.46) ADORA1KMT2ALMNA
SCHEMBL5581888 0.79 ADORA1 (0.47) ADORA1ADORA2AP2RX3P2RX2IDO1
SCHEMBL5582304 0.76 NQO2 (0.45) ADORA1P2RX3P2RX2JAK2JAK1
SCHEMBL5582021 0.76 ADORA1 (0.44) ADORA1ADORA2AP2RX3P2RX2IDO1
SCHEMBL20765261 0.75 ALOX5AP (0.46) ADORA1ADORA2AP2RX3P2RX2IDO1
SCHEMBL8034930 0.75 ADORA1 (0.51) ADORA1TDO2AURKBNPC1ACACA
SCHEMBL8041159 0.73 CKS1B (0.52) KMT2AACACAGAA
SCHEMBL27631809 0.72 DHFR (0.65) ADORA1ADORA2AP2RX3P2RX2KMT2A

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 ADORA1 406/4885ADORA2A 1251/4885P2RX3 620/4885

“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.