SCHEMBL161917

SCHEMBL161917

CSc1nc(C(F)(F)c2ccc(F)cn2)nc2c(C(N)=O)cccc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 3/20 0.41
AKT1 P31749 2/20 0.41
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
BAD Q92934 1/20 0.37
AURKA O14965 1/20 0.36
PARP1 P09874 6/20 0.36
CD38 P28907 9/20 0.36
CYP3A4 P08684 2/20 0.36
KCNH2 Q12809 1/20 0.36
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35

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
SCHEMBL158566 0.83 BDKRB1 (0.36) PIM1PIM2BAD
SCHEMBL160097 0.83 ENPP3 (0.34)
SCHEMBL160543 0.82 SLC22A12 (0.33)
SCHEMBL162931 0.81 MAP4K4 (0.38)
SCHEMBL162750 0.80 GUCY1B2 (0.30)
SCHEMBL161285 0.79 PDK2 (0.33)
SCHEMBL163370 0.79 GLO1 (0.38)
SCHEMBL162273 0.78 KDM4E (0.35) KCNH2
SCHEMBL173680 0.76 RPS6KB1 (0.45) RPS6KB1AKT1AURKACD38CYP3A4
SCHEMBL162284 0.75 KDM4E (0.36) RPS6KB1AKT1PIM1PIM2

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 RPS6KB1 410/4885AKT1 822/4885PIM1 650/4885

“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.