SCHEMBL161614

SCHEMBL161614

Cc1ccc2c(O)nc(C(F)(F)c3ccc(F)cn3)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.36
POLB P06746 1/20 0.33
CTNNB1 P35222 3/20 0.32
TCF7L2 Q9NQB0 3/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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 0.90 KDM4E (0.33) KDM4E
SCHEMBL161346 0.85 CYP3A4 (0.33) POLBLMNAKDM4E
SCHEMBL161307 0.85 NT5E (0.32)
SCHEMBL162642 0.85 GRM2 (0.34) GRM2POLBCTNNB1TCF7L2TP53
SCHEMBL162268 0.85 PTGS2 (0.34)
SCHEMBL163179 0.83 GRM2 (0.33) GRM2POLB
SCHEMBL164991 0.82 GRM2 (0.41) GRM2POLBCTNNB1TCF7L2ALDH1A1
SCHEMBL161223 0.82 CCNE2 (0.36) ALDH1A1MAPTGAA
SCHEMBL160401 0.77 NTRK1 (0.53)
SCHEMBL160949 0.74 TRPV4 (0.33)

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 GRM2 1721/4885POLB 1797/4885CTNNB1 4674/4885

“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.