SCHEMBL159127

SCHEMBL159127

Cn1cnc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3ccccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.56
JAK3 P52333 11/20 0.56
JAK1 P23458 7/20 0.43
CCNE2 O96020 3/20 0.40
CCNE1 P24864 3/20 0.40
CDK2 P24941 3/20 0.40
AURKA O14965 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
RET P07949 1/20 0.39
FGR P09769 1/20 0.39
FGFR1 P11362 1/20 0.39
CSNK2A2 P19784 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
LIMK1 P53667 1/20 0.39
SIK1 P57059 1/20 0.39
PRKCZ Q05513 1/20 0.39
ALK Q9UM73 1/20 0.39

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
SCHEMBL164165 0.86 JAK2 (0.53) JAK2JAK3JAK1CCNE2CCNE1
SCHEMBL159128 0.80 CCNE2 (0.40) JAK2JAK3JAK1CCNE2CCNE1
SCHEMBL173974 0.79 CCNE2 (0.39) JAK2JAK3JAK1CCNE2CCNE1
SCHEMBL165657 0.79 JAK2 (0.56) JAK2JAK3JAK1AURKANTRK1
SCHEMBL162857 0.77 JAK2 (0.43) JAK2JAK3JAK1AURKANTRK1
SCHEMBL160631 0.76 GSK3A (0.56) CCNE2CCNE1CDK2KDRCDK4
SCHEMBL174033 0.75 CCNE2 (0.39) CCNE2CCNE1CDK2NTRK1CDK4
SCHEMBL164919 0.73 JAK2 (0.62) JAK2JAK3JAK1CCNE2CCNE1
SCHEMBL15205290 0.73 JAK2 (0.62) JAK2JAK3JAK1CCNE2CCNE1
SCHEMBL15205291 0.73 JAK2 (0.62) JAK2JAK3JAK1CCNE2CCNE1

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 9 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
US-8633207-B2 Quinazoline compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2014-01-21 US disclosed
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
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
US-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-01 US 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 1/4885JAK1 4/4885

“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.