SCHEMBL159396

SCHEMBL159396

COC(=O)c1cccc2c(=O)[nH]c(C(F)(F)c3ccc(F)cn3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.39
TNKS2 Q9H2K2 4/20 0.39
PARP2 Q9UGN5 3/20 0.39
PDE5A O76074 1/20 0.36
MAPT P10636 2/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
PARP1 P09874 2/20 0.35
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A4 P31645 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
SCHEMBL162385 0.83 PARP1 (0.46) TNKSTNKS2PARP2PARP1KDM4E
SCHEMBL162259 0.83 TNKS (0.53) TNKSTNKS2PARP2PARP1
SCHEMBL164200 0.82 TNKS (0.42) TNKSTNKS2PARP2PARP1
SCHEMBL160963 0.81 HCAR2 (0.37) TNKSTNKS2PARP2PARP1
SCHEMBL160577 0.81 PARP1 (0.47) TNKSTNKS2PARP2PIM1PARP1
SCHEMBL161934 0.78 MAPT (0.38) MAPTPIM1PIM2KDM4EALDH1A1
SCHEMBL174524 0.72 AURKA (0.44) CYP2C9CYP2C19
SCHEMBL527419 0.72 PARP1 (0.60) TNKSTNKS2PKN1PKN2PARP1
SCHEMBL162154 0.72 TUBB4A (0.43) TNKSTNKS2MAPTPARP1KDM4E
SCHEMBL30401646 0.66 PARP1 (0.56) TNKS2MAPTPIM1PARP1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633207-B2 Quinazoline compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2014-01-21 US disclosed
EP-2611789-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030948-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
US-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-01 US 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-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, TYK2 TNKS 225/4885TNKS2 166/4885PARP2 751/4885

“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.