SCHEMBL162857

SCHEMBL162857

COc1cc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3ccccc23)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C8 P10632 3/20 0.43
CYP2C9 P11712 3/20 0.43
JAK1 P23458 3/20 0.43
TYK2 P29597 3/20 0.43
CYP2C19 P33261 3/20 0.43
JAK3 P52333 3/20 0.43
ADORA3 P0DMS8 2/20 0.43
CYP1A2 P05177 1/20 0.43
AURKA O14965 7/20 0.42
GSK3B P49841 5/20 0.42
AURKB Q96GD4 5/20 0.42
NTRK1 P04629 8/20 0.42
GRK6 P43250 1/20 0.41
SRC P12931 3/20 0.40
EIF2AK2 P19525 1/20 0.40
GSK3A P49840 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40

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
SCHEMBL165657 0.87 JAK2 (0.56) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL173974 0.82 CCNE2 (0.39) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL159058 0.80 AURKA (0.55) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL163559 0.79 AURKA (0.56) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL159128 0.79 CCNE2 (0.40) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL174033 0.78 CCNE2 (0.39) NTRK1
SCHEMBL173346 0.78 AURKA (0.58) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL160401 0.77 NTRK1 (0.53) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL159127 0.77 JAK2 (0.56) JAK2JAK1JAK3AURKANTRK1
SCHEMBL158164 0.76 AURKA (0.57) JAK2CYP3A4CYP2C8CYP2C9JAK1

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 13 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
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 2/4885CYP3A4 1740/4885CYP2C8 1085/4885

“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.