SCHEMBL16212933

SCHEMBL16212933

Nc1cc2c(N)nc(-c3ccc(F)c(Cl)c3)nc2cc1OCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
G6PD P11413 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSPO P30536 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
SCN9A Q15858 1/20 0.36
DPP4 P27487 3/20 0.35
TNK2 Q07912 2/20 0.35

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 0.87 TSPO (0.42) KDM4EALDH1A1HSD17B10MEN1MAPT
SCHEMBL24891 0.85 TSPO (0.37) TSPOSCN9ADPP4FYNEPHB4
SCHEMBL643970 0.84 FLT1 (0.39) TSPOFYN
SCHEMBL29714497 0.83 FYN (0.43) MEN1MAPTKMT2ATSPOFYN
SCHEMBL27532 0.83 FYN (0.43) MEN1MAPTKMT2ATSPOFYN
SCHEMBL16212409 0.81 TSPO (0.38) MEN1MAPTKMT2ATSPOFYN
Trifluoroacetic Acid SCHEMBL28457409 0.80 TSPO (0.43) MEN1MAPTKMT2ATSPOFYN
SCHEMBL30505593 0.79 TP53 (0.48) MEN1MAPTKMT2AFYNEPHB4
SCHEMBL29229255 0.79 TP53 (0.48) MEN1MAPTKMT2AFYNEPHB4
SCHEMBL15877127 0.79 DHFR (0.40) TSPOSCN9AADORA2AADORA1

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 KDM4E 2929/4885ALDH1A1 3364/4885HSD17B10 3611/4885

“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.