SCHEMBL173974

SCHEMBL173974

Fc1ccc(C(F)(F)c2nc(Nc3cc[nH]n3)c3ccccc3n2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 6/20 0.39
CCNE1 P24864 6/20 0.39
CDK2 P24941 6/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
TRPA1 O75762 1/20 0.36
JAK2 O60674 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C8 P10632 3/20 0.36
CYP2C9 P11712 3/20 0.36
JAK1 P23458 3/20 0.36
TYK2 P29597 3/20 0.36
CYP2C19 P33261 3/20 0.36
JAK3 P52333 3/20 0.36
TLR7 Q9NYK1 3/20 0.36
ADORA3 P0DMS8 2/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL174445 0.84 CCNE2 (0.44) CCNE2CCNE1CDK2ALDH1A1GAA
SCHEMBL174033 0.83 CCNE2 (0.39) CCNE2CCNE1CDK2ALDH1A1GAA
SCHEMBL165657 0.82 JAK2 (0.56) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL162857 0.82 JAK2 (0.43) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL159128 0.81 CCNE2 (0.40) CCNE2CCNE1CDK2ALDH1A1GAA
SCHEMBL159127 0.79 JAK2 (0.56) CCNE2CCNE1CDK2ALDH1A1GAA
SCHEMBL174321 0.77 CCNE2 (0.41) CCNE2CCNE1CDK2ALDH1A1GAA
SCHEMBL160631 0.76 GSK3A (0.56) CCNE2CCNE1CDK2ALDH1A1GAA
SCHEMBL161223 0.74 CCNE2 (0.36) CCNE2CCNE1CDK2ALDH1A1GAA
SCHEMBL162466 0.74 METAP1 (0.38) CCNE2CCNE1CDK2ALDH1A1GAA

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 CCNE2 3680/4885CCNE1 3931/4885CDK2 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.