SCHEMBL160963

SCHEMBL160963

O=c1[nH]c(C(F)(F)c2ccc(F)cn2)nc2c(Br)cccc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.37
TNKS O95271 11/20 0.37
TNKS2 Q9H2K2 11/20 0.37
PARP2 Q9UGN5 7/20 0.37
PARP1 P09874 7/20 0.37
PKM P14618 1/20 0.36
ENPP3 O14638 2/20 0.34
ENPP1 P22413 2/20 0.34
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 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
SCHEMBL164200 0.88 TNKS (0.42) HCAR2TNKSTNKS2PARP2PARP1
SCHEMBL160577 0.86 PARP1 (0.47) HCAR2TNKSTNKS2PARP2PARP1
SCHEMBL162385 0.86 PARP1 (0.46) HCAR2TNKSTNKS2PARP2PARP1
SCHEMBL162259 0.86 TNKS (0.53) TNKSTNKS2PARP2PARP1
SCHEMBL159396 0.81 TNKS (0.39) TNKSTNKS2PARP2PARP1
SCHEMBL160936 0.74 ENPP3 (0.36) ENPP3ENPP1
SCHEMBL160464 0.74 ENPP3 (0.41) ENPP3ENPP1
SCHEMBL160097 0.71 ENPP3 (0.34) ENPP3ENPP1
SCHEMBL162154 0.70 TUBB4A (0.43) TNKSTNKS2PARP1PKMENPP1
SCHEMBL174437 0.66 AURKA (0.43)

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 HCAR2 1872/4885TNKS 225/4885TNKS2 166/4885

“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.