SCHEMBL16212409

SCHEMBL16212409

[2H]C([2H])([2H])Oc1cc2nc(-c3ccc(F)c(Cl)c3)nc(N)c2cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.38
FYN P06241 1/20 0.37
CYP1A1 P04798 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP1B1 Q16678 2/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
EPHB4 P54760 3/20 0.36
RAD52 P43351 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
DHPS P49366 1/20 0.35
MEN1 O00255 1/20 0.35
UBE2N P61088 1/20 0.35
KMT2A Q03164 1/20 0.35
WHR1 P49842 1/20 0.35
KDR P35968 2/20 0.35
PDGFRB P09619 3/20 0.34
AURKA O14965 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 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
SCHEMBL29714497 0.92 FYN (0.43) TSPOFYNTP53MAPTEPHB4
SCHEMBL27532 0.92 FYN (0.43) TSPOFYNTP53MAPTEPHB4
SCHEMBL29229255 0.86 TP53 (0.48) FYNTP53MAPTEPHB4RAD52
SCHEMBL30505593 0.86 TP53 (0.48) FYNTP53MAPTEPHB4RAD52
SCHEMBL15876876 0.84 TSPO (0.42) TSPOFYNMAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL28457409 0.83 TSPO (0.43) TSPOFYNTP53MAPTRAD52
SCHEMBL643970 0.82 FLT1 (0.39) TSPOFYNKDREGFRERBB2
SCHEMBL29229404 0.81 FYN (0.52) TSPOFYNTP53MAPTEPHB4
SCHEMBL30505596 0.81 FYN (0.52) TSPOFYNTP53MAPTEPHB4
SCHEMBL16212933 0.81 KDM4E (0.41) TSPOFYNMAPTEPHB4ABCG2

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 TSPO 1072/4885FYN 299/4885CYP1A1 1091/4885

“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.