SCHEMBL162797

SCHEMBL162797

COc1ccc2c(Cl)nc(C(F)(F)c3ccc(F)cn3)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DYRK1A Q13627 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SLC22A12 Q96S37 2/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
EGFR P00533 1/20 0.34
GFER P55789 1/20 0.34
MAPK14 Q16539 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACHE P22303 1/20 0.34
APP P05067 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
SCHEMBL166304 0.83 KDM4E (0.44) TRPA1KDM4EALDH1A1MAPTHPGD
SCHEMBL162466 0.79 METAP1 (0.38) KDM4EALDH1A1MAPTMAPK14SMN1; SMN2
SCHEMBL159058 0.77 AURKA (0.55) JAK2JAK3
SCHEMBL162154 0.76 TUBB4A (0.43) KDM4EALDH1A1MAPTNPSR1DYRK1A
SCHEMBL176987 0.73 JAK2 (0.39) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL161346 0.73 CYP3A4 (0.33) KDM4EJAK2JAK3KMT2AGRM5
SCHEMBL161457 0.73 KMT2A (0.33) KMT2AGRM5
SCHEMBL161743 0.73 KMT2A (0.34) MAPTNPSR1KMT2AL3MBTL1GRM5
SCHEMBL161445 0.72 KDM4E (0.33) KDM4EACHEGRM5
SCHEMBL160949 0.72 TRPV4 (0.33) ACHEGRM5

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 TRPA1 4815/4885KDM4E 1840/4885ALDH1A1 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.