SCHEMBL164200

SCHEMBL164200

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNKS O95271 8/20 0.42
TNKS2 Q9H2K2 8/20 0.42
PARP1 P09874 7/20 0.42
HCAR2 Q8TDS4 1/20 0.39
PARP2 Q9UGN5 5/20 0.38
PKM P14618 1/20 0.38
GRM5 P41594 2/20 0.34
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL160577 0.88 PARP1 (0.47) TNKSTNKS2PARP1HCAR2PARP2
SCHEMBL162385 0.88 PARP1 (0.46) TNKSTNKS2PARP1HCAR2PARP2
SCHEMBL162259 0.88 TNKS (0.53) TNKSTNKS2PARP1PARP2
SCHEMBL160963 0.88 HCAR2 (0.37) TNKSTNKS2PARP1HCAR2PARP2
SCHEMBL159396 0.82 TNKS (0.39) TNKSTNKS2PARP1PARP2
SCHEMBL161422 0.72 GRM5 (0.34) GRM5
SCHEMBL162154 0.71 TUBB4A (0.43) TNKSTNKS2PARP1PKMKDM5A
SCHEMBL174265 0.67 XPO1 (0.37)
SCHEMBL526074 0.67 PARP1 (0.70) TNKSTNKS2PARP1PARP2
SCHEMBL577862 0.67 PARP1 (0.51) TNKSTNKS2PARP1PARP2

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 166/4885PARP1 1231/4885

“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.