SCHEMBL161223

SCHEMBL161223

Oc1nc(C(F)(F)c2ccc(F)cn2)nc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 5/20 0.36
CCNE1 P24864 5/20 0.36
CDK2 P24941 5/20 0.36
ADORA2A P29274 2/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 2/20 0.34
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
TGFBR1 P36897 1/20 0.33
MAPK14 Q16539 1/20 0.33
TLR7 Q9NYK1 3/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
HSP90AA1 P07900 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL161445 0.86 KDM4E (0.33)
SCHEMBL161725 0.85 ADORA2A (0.38) CCNE2CCNE1CDK2ADORA2AGAA
SCHEMBL162466 0.84 METAP1 (0.38) CCNE2CCNE1CDK2ADORA2AGAA
SCHEMBL161307 0.82 NT5E (0.32)
SCHEMBL161614 0.82 GRM2 (0.36) GAAALDH1A1MAPT
SCHEMBL161346 0.82 CYP3A4 (0.33) KMT2AMEN1
SCHEMBL162284 0.80 KDM4E (0.36) ALDH1A1RAB9AL3MBTL1
SCHEMBL164199 0.80 CCNE2 (0.41) CCNE2CCNE1CDK2ADORA2AGAA
SCHEMBL163623 0.80 NR1H2 (0.35) CDK2ADORA2AALDH1A1KMT2AMEN1
SCHEMBL160936 0.80 ENPP3 (0.36) GAAMAPT

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 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.