SCHEMBL16212573

SCHEMBL16212573

CC1(COc2cc3nc(-c4ccc(F)c(Cl)c4)nc(N)c3cc2N)COC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.40
DCPS Q96C86 1/20 0.40
GRM2 Q14416 1/20 0.36
TSPO P30536 1/20 0.35
FFAR1 O14842 1/20 0.35
BACE1 P56817 2/20 0.34
EGFR P00533 3/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
PTPN11 Q06124 1/20 0.33
TGFBR1 P36897 1/20 0.33
TGFBR2 P37173 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
FYN P06241 1/20 0.32
APP P05067 1/20 0.32
CHEK1 O14757 1/20 0.32
CHEK2 O96017 1/20 0.32
AKT1 P31749 1/20 0.32
IRAK1 P51617 1/20 0.32
EPHB4 P54760 1/20 0.32

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
SCHEMBL15876876 0.83 TSPO (0.42) DHFRTSPOEGFRFYNDPP4
SCHEMBL643970 0.81 FLT1 (0.39) TSPOEGFRFYN
SCHEMBL27532 0.80 FYN (0.43) DHFRTSPOEGFRFYNEPHB4
SCHEMBL29714497 0.80 FYN (0.43) DHFRTSPOEGFRFYNEPHB4
SCHEMBL15877127 0.80 DHFR (0.40) DHFRDCPSGRM2TSPOEGFR
SCHEMBL24891 0.79 TSPO (0.37) TSPOEGFRADORA2AADORA1FYN
SCHEMBL16212933 0.79 KDM4E (0.41) TSPOADORA2AADORA1FYNEPHB4
SCHEMBL28454175 0.78 EGFR (0.49) BACE1EGFRIRAK4ADORA2AADORA1
SCHEMBL16212409 0.77 TSPO (0.38) TSPOEGFRFYNEPHB4
SCHEMBL30505593 0.76 TP53 (0.48) DHFREGFRFYNEPHB4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556191-B2 Aminoquinazoline derivatives and their salts and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-01-31 US disclosed
US-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-02-11 US disclosed
WO-2014177038-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-11-06 WO 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-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF WNK1, ABL1, NEK4 DHFR 1075/4885DCPS 2864/4885GRM2 3297/4885

“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.