SCHEMBL161725

SCHEMBL161725

Oc1nc(C(F)(F)c2ncc(F)cn2)nc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 2/20 0.36
CCNE2 O96020 7/20 0.36
CCNE1 P24864 7/20 0.36
CDK2 P24941 7/20 0.36
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
TLR7 Q9NYK1 4/20 0.35
KMT2A Q03164 3/20 0.34
SIRT5 Q9NXA8 1/20 0.34
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL161223 0.85 CCNE2 (0.36) ADORA2AGAAALDH1A1MAPTRAB9A
SCHEMBL164199 0.81 CCNE2 (0.41) ADORA2AGAAALDH1A1MAPTRAB9A
SCHEMBL162509 0.78 PDE7A (0.38) KMT2AMEN1
SCHEMBL2709303 0.77 GAA (0.57) ADORA2AGAAALDH1A1MAPTRAB9A
SCHEMBL31202674 0.77 GAA (0.57) ADORA2AGAAALDH1A1MAPTRAB9A
SCHEMBL17250761 0.71 ALDH1A1 (0.49) GAAALDH1A1MAPTRAB9ACCNE2
SCHEMBL161445 0.70 KDM4E (0.33)
SCHEMBL158164 0.70 AURKA (0.57)
SCHEMBL27089309 0.68 KDM4E (0.41) ADORA2AGAAALDH1A1MAPTRAB9A
SCHEMBL162466 0.68 METAP1 (0.38) ADORA2AGAAALDH1A1MAPTRAB9A

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 ADORA2A 3145/4885GAA 1083/4885ALDH1A1 4588/4885

“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.