SCHEMBL160083

SCHEMBL160083

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3cc(C#N)ccc23)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.46
NTRK1 P04629 8/20 0.46
CDK2 P24941 4/20 0.46
MUSK O15146 1/20 0.46
LCK P06239 1/20 0.46
RET P07949 1/20 0.46
FGFR3 P22607 1/20 0.46
CCNE1 P24864 1/20 0.46
FLT3 P36888 1/20 0.46
PTK2B Q14289 1/20 0.46
AURKB Q96GD4 4/20 0.46
AURKA O14965 1/20 0.46
JAK2 O60674 11/20 0.45
STAT5B P51692 2/20 0.45
PLK4 O00444 1/20 0.44
NTRK3 Q16288 2/20 0.43
NTRK2 Q16620 2/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL163559 0.90 AURKA (0.56) JAK3NTRK1AURKBAURKAJAK2
SCHEMBL160401 0.88 NTRK1 (0.53) JAK3NTRK1AURKBAURKAJAK2
SCHEMBL10284854 0.86 AURKA (0.48) JAK3NTRK1CDK2MUSKLCK
SCHEMBL162144 0.86 NTRK1 (0.54) JAK3NTRK1AURKBAURKAJAK2
SCHEMBL163318 0.86 NTRK1 (0.54) JAK3NTRK1CDK2MUSKLCK
SCHEMBL161955 0.85 AURKA (0.47) JAK3NTRK1CDK2MUSKLCK
SCHEMBL165657 0.85 JAK2 (0.56) JAK3NTRK1AURKBAURKAJAK2
SCHEMBL159058 0.85 AURKA (0.55) JAK3NTRK1AURKBAURKAJAK2
SCHEMBL174212 0.84 NTRK1 (0.46) JAK3NTRK1AURKBAURKAJAK2
SCHEMBL162510 0.83 AURKA (0.45) JAK3NTRK1CDK2MUSKLCK

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 11 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 claimed
EP-2611789-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP claimed
WO-2012030948-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO claimed
US-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-01 US claimed
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
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 JAK3 1/4885NTRK1 1424/4885CDK2 268/4885

“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.