SCHEMBL161346

SCHEMBL161346

Oc1nc(C(F)(F)c2ccc(F)cn2)nc2cc(Cl)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 2/20 0.33
HMOX1 P09601 1/20 0.33
SOS1 Q07889 1/20 0.32
POLB P06746 2/20 0.32
GBA1 P04062 2/20 0.31
JAK2 O60674 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
RET P07949 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
JAK3 P52333 1/20 0.31
MAP2K1 Q02750 1/20 0.31
ACVR1 Q04771 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
KDM4E B2RXH2 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) ACVR1CLK4KDM4EGRM5
SCHEMBL161614 0.85 GRM2 (0.36) POLBKDM4ELMNA
SCHEMBL161457 0.85 KMT2A (0.33) CYP3A4KMT2ACYP2C9CYP2C19MEN1
SCHEMBL161307 0.85 NT5E (0.32) CYP3A4CYP2C9CYP2C19
SCHEMBL162268 0.82 PTGS2 (0.34)
SCHEMBL161743 0.82 KMT2A (0.34) CYP3A4KMT2ACYP2C9CYP2C19MEN1
SCHEMBL161223 0.82 CCNE2 (0.36) KMT2AMEN1
SCHEMBL8070450 0.77 POLB (0.41) CYP3A4KMT2ACYP2C9CYP2C19POLB
SCHEMBL162144 0.75 NTRK1 (0.54) CYP3A4CYP2C9CYP2C19JAK2NTRK1
SCHEMBL160949 0.74 TRPV4 (0.33) ACVR1CLK4GRM5

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 CYP3A4 1740/4885KMT2A 825/4885CYP2C9 1544/4885

“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.