SCHEMBL5581874

SCHEMBL5581874

COc1c(CCC(=O)O)cc(-c2cccc(Cl)c2)c2cnc(N)nc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.43
ADORA2A P29274 3/20 0.43
DHFR P00374 4/20 0.43
FFAR1 O14842 2/20 0.40
LTB4R Q15722 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
NR4A2 P43354 1/20 0.39
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
MAP4K4 O95819 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL5582222 0.89 KDM4E (0.40) ADORA1FFAR1LTB4RRXRARXRB
SCHEMBL5581661 0.87 ADORA1 (0.44) ADORA1FFAR1LTB4RRXRARXRB
SCHEMBL5581762 0.81 ADORA1 (0.43) ADORA1ADORA2ADHFRLTB4RCSNK2A2
SCHEMBL5581757 0.81 ADORA1 (0.43) ADORA1ADORA2ADHFRLTB4RCSNK2A2
SCHEMBL5582238 0.80 MAP4K4 (0.52) ADORA1ADORA2ADHFRCSNK2A2CSNK2B
SCHEMBL5582167 0.79 KDM4E (0.41) ADORA1FFAR1LTB4R
SCHEMBL5581989 0.79 DHFR (0.51) ADORA1ADORA2ADHFRMAP4K4FYN
SCHEMBL5582142 0.76 CCNC (0.42) ADORA1ADORA2ADHFRFYN
SCHEMBL5581566 0.76 ADORA1 (0.41) ADORA1LTB4RCSNK2A2CSNK2BCSNK2A1
SCHEMBL5582145 0.76 CCNC (0.42) ADORA1ADORA2ADHFRFYN

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 1251/4885DHFR 1735/4885

“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.