SCHEMBL158172

SCHEMBL158172

COc1cccc2c(O)nc(C(F)(F)c3ccc(F)cn3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.41
TNKS O95271 2/20 0.38
TNKS2 Q9H2K2 2/20 0.38
PARP2 Q9UGN5 2/20 0.38
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
HPGDS O60760 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
TDO2 P48775 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL160537 0.88 ADORA2A (0.33) ADORA2A
SCHEMBL163623 0.86 NR1H2 (0.35) ADORA2AKDM4EALDH1A1MEN1KMT2A
SCHEMBL160936 0.83 ENPP3 (0.36) MAPT
SCHEMBL162284 0.81 KDM4E (0.36) KDM4EALDH1A1HPGD
SCHEMBL162604 0.81 JAK2 (0.34) ADORA2APDE4D
SCHEMBL161396 0.80 PDE10A (0.36) PDE4DKDM4EALDH1A1MEN1MAPT
SCHEMBL161073 0.80 P2RX3 (0.33)
SCHEMBL161223 0.78 CCNE2 (0.36) ADORA2AALDH1A1MEN1MAPTKMT2A
SCHEMBL173346 0.76 AURKA (0.58)
SCHEMBL161445 0.73 KDM4E (0.33) KDM4E

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 ADORA2A 3145/4885TNKS 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.