SCHEMBL174762

SCHEMBL174762

Cn1cc(-c2ccc3c(Cl)nc(C(F)(F)c4ccc(F)cc4)nc3c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.42
NPBWR1 P48145 1/20 0.41
AURKB Q96GD4 2/20 0.39
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
TGFBR1 P36897 1/20 0.38
KIT P10721 1/20 0.38
DRD2 P14416 1/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
ERBB4 Q15303 1/20 0.37
MET P08581 2/20 0.37
ALK Q9UM73 1/20 0.37
FLT3 P36888 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
EPHB4 P54760 1/20 0.36

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
SCHEMBL174952 0.87 PIK3CA (0.42) PIK3CANPBWR1AURKBCLK1DYRK1A
SCHEMBL175669 0.87 PIK3CA (0.42) PIK3CANPBWR1AURKBCLK1DYRK1A
SCHEMBL163666 0.79 MEN1 (0.36)
SCHEMBL166643 0.79 AURKA (0.48) AURKB
SCHEMBL163386 0.77 GRM2 (0.39) GRM2
SCHEMBL166304 0.74 KDM4E (0.44) AURKBDYRK1A
SCHEMBL164157 0.71 CCNE2 (0.41)
SCHEMBL166125 0.71 ADORA2A (0.54)
SCHEMBL27863145 0.70 PKM (0.38) KCNH2GRM2
SCHEMBL164187 0.70 CSNK2A1 (0.46) MET

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-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-08-29 US disclosed
EP-2611448-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030912-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 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-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 PIK3CA 436/4885NPBWR1 3934/4885AURKB 336/4885

“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.