SCHEMBL2397790

SCHEMBL2397790

C#CC[C@H](c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1)N(CCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccc(Cl)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE10A Q9Y233 1/20 0.33
EIF4EBP1 Q13541 1/20 0.32
LMNA P02545 1/20 0.32
CASR P41180 1/20 0.32
ALDH1A1 P00352 3/20 0.31
EGFR P00533 1/20 0.31
HTT P42858 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
SCHEMBL2399480 1.00 KIF11 (0.36) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
Arq-621 SCHEMBL2399429 0.90 KIF11 (0.44) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
Arq-621 SCHEMBL29479147 0.90 KIF11 (0.44) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
Arq-621 SCHEMBL361201 0.90 KIF11 (0.44) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
Arq-621 SCHEMBL30136957 0.90 KIF11 (0.44) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL2399397 0.89 KIF11 (0.38) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL2396995 0.87 KIF11 (0.37) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL2399499 0.86 KIF11 (0.44) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL361542 0.86 KIF11 (0.44) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL11942599 0.84 KIF11 (0.37) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173724-B1 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE INC (US) 2012-12-05 EP disclosed
EP-2173724-B1 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE INC (US) 2012-12-05 EP disclosed
US-8232285-B2 Quinazolinone compounds and methods of use thereof ARQULE, INC. (US) 2012-07-31 US disclosed
US-8232285-B2 Quinazolinone compounds and methods of use thereof ARQULE, INC. (US) 2012-07-31 US disclosed
US-8232285-B2 Quinazolinone compounds and methods of use thereof ARQULE, INC. (US) 2012-07-31 US disclosed
US-20110217300-A1 Quinazolinone Compounds and Methods of Use Thereof ARQULE, INC. (US) 2011-09-08 US disclosed
US-20110217300-A1 Quinazolinone Compounds and Methods of Use Thereof ARQULE, INC. (US) 2011-09-08 US disclosed
US-20110217300-A1 Quinazolinone Compounds and Methods of Use Thereof ARQULE, INC. (US) 2011-09-08 US disclosed
EP-2173724-A2 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ArQule, Inc. (US) 2010-04-14 EP disclosed
US-20090130097-A1 Quinazolinone Compounds and Methods of Use Thereof ARQULE, INC. (US) 2009-05-21 US disclosed
US-20090130097-A1 Quinazolinone Compounds and Methods of Use Thereof ARQULE, INC. (US) 2009-05-21 US disclosed
US-20090130097-A1 Quinazolinone Compounds and Methods of Use Thereof ARQULE, INC. (US) 2009-05-21 US disclosed
WO-2009002808-A2 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2008-12-31 WO disclosed
WO-2009002808-A2 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2008-12-31 WO 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 (2 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-20110217300-A1 Quinazolinone Compounds and Methods of Use Thereof NQO2, NQO1, MKI67 KIF11 2462/4885MAP1LC3B 574/4885CYP3A4 568/4885
US-20090130097-A1 Quinazolinone Compounds and Methods of Use Thereof NQO2, NQO1, MKI67 KIF11 2462/4885MAP1LC3B 574/4885CYP3A4 568/4885

“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.