SCHEMBL174724

SCHEMBL174724

Cc1cc(Nc2nc([C@@H](CC#N)c3ccc(F)cn3)nc3ccccc23)n[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.59
JAK3 P52333 9/20 0.59
CYP3A4 P08684 3/20 0.59
CYP2C8 P10632 3/20 0.59
CYP2C9 P11712 3/20 0.59
JAK1 P23458 3/20 0.59
TYK2 P29597 3/20 0.59
CYP2C19 P33261 3/20 0.59
ADORA3 P0DMS8 2/20 0.59
CYP1A2 P05177 1/20 0.59
AURKB Q96GD4 3/20 0.59
AURKA O14965 1/20 0.59
NTRK1 P04629 9/20 0.54
CDK2 P24941 3/20 0.53
MUSK O15146 1/20 0.53
LCK P06239 1/20 0.53
RET P07949 1/20 0.53
FGFR3 P22607 1/20 0.53
CCNE1 P24864 1/20 0.53
FLT3 P36888 1/20 0.53

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
SCHEMBL255292 1.00 JAK2 (0.59) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL174723 1.00 JAK2 (0.59) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL174722 1.00 JAK2 (0.59) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL174168 0.88 JAK2 (0.71) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL255825 0.88 JAK2 (0.71) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL255644 0.87 JAK2 (0.59) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL174079 0.87 JAK2 (0.59) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL174091 0.87 JAK3 (0.59) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL174090 0.87 JAK3 (0.59) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL174078 0.87 JAK2 (0.59) JAK2JAK3CYP3A4CYP2C8CYP2C9

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 1/4885CYP3A4 1740/4885

“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.