SCHEMBL176869

SCHEMBL176869

COc1ccc2c(Nc3cc(C)n(C(=O)OC(C)(C)C)n3)nc(C(F)(F)c3ccc(F)cn3)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.37
JAK3 P52333 1/20 0.37
BRD4 O60885 3/20 0.33
JAK1 P23458 1/20 0.33
GRM5 P41594 1/20 0.33
GPR119 Q8TDV5 3/20 0.32
AURKB Q96GD4 2/20 0.32
PLK4 O00444 1/20 0.32
DYRK3 O43781 1/20 0.32
MAP4K4 O95819 1/20 0.32
CDK1 P06493 1/20 0.32
RET P07949 1/20 0.32
ROS1 P08922 1/20 0.32
FGFR1 P11362 1/20 0.32
FER P16591 1/20 0.32
FLT1 P17948 1/20 0.32
FGFR3 P22607 1/20 0.32
CDK2 P24941 1/20 0.32
KDR P35968 1/20 0.32
SYK P43405 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
SCHEMBL176987 0.91 JAK2 (0.39) JAK2JAK3GRM5AURKBPLK4
SCHEMBL159058 0.77 AURKA (0.55) JAK2JAK3JAK1AURKBPLK4
SCHEMBL162797 0.71 TRPA1 (0.39) JAK2JAK3GRM5DYRK1AKDM4E
SCHEMBL173693 0.69 AURKA (0.46) JAK2JAK3JAK1AURKBAURKA
SCHEMBL166680 0.67 NR1H2 (0.38) GPR119
SCHEMBL163559 0.67 AURKA (0.56) JAK2JAK3JAK1AURKBSYK
SCHEMBL16356864 0.67 EGFR (0.40) CDK2SYKDYRK1ASTK17AALDH1A1
SCHEMBL161591 0.67 AURKA (0.46) JAK2JAK3JAK1AURKBAURKA
SCHEMBL4015445 0.66 MAPT (0.37) JAK2JAK1CDK2DYRK1ASTK17A
SCHEMBL160401 0.66 NTRK1 (0.53) JAK2JAK3JAK1AURKBPLK4

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 JAK2 2/4885JAK3 1/4885BRD4 156/4885

“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.