SCHEMBL160631

SCHEMBL160631

Cc1cnc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3ccccc23)s1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
CCNE2 O96020 11/20 0.40
CCNE1 P24864 11/20 0.40
CDK2 P24941 11/20 0.40
ALDH1A1 P00352 2/20 0.39
CDK4 P11802 5/20 0.39
CCND1 P24385 5/20 0.39
TLR7 Q9NYK1 4/20 0.38
KDR P35968 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CETP P11597 1/20 0.37

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
SCHEMBL159128 0.78 CCNE2 (0.40) CCNE2CCNE1CDK2ALDH1A1CDK4
SCHEMBL165657 0.78 JAK2 (0.56) GSK3AGSK3B
SCHEMBL159127 0.76 JAK2 (0.56) CCNE2CCNE1CDK2ALDH1A1CDK4
SCHEMBL174033 0.76 CCNE2 (0.39) CCNE2CCNE1CDK2ALDH1A1CDK4
SCHEMBL173974 0.76 CCNE2 (0.39) CCNE2CCNE1CDK2ALDH1A1CDK4
SCHEMBL166294 0.74 GSK3A (0.60) GSK3AGSK3BCCNE2CCNE1CDK2
SCHEMBL255871 0.74 GSK3A (0.60) GSK3AGSK3BCCNE2CCNE1CDK2
SCHEMBL166293 0.74 GSK3A (0.60) GSK3AGSK3BCCNE2CCNE1CDK2
SCHEMBL165180 0.74 GSK3A (0.60) GSK3AGSK3BCCNE2CCNE1CDK2
SCHEMBL161223 0.74 CCNE2 (0.36) CCNE2CCNE1CDK2ALDH1A1CDK4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GSK3A 334/4885GSK3B 353/4885CCNE2 3680/4885

“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.