SCHEMBL6990771

SCHEMBL6990771

O=C(O)c1nc(-c2ccccc2)cnc1O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.51
ATR Q13535 6/20 0.50
PRKDC P78527 4/20 0.50
LDHA P00338 2/20 0.47
ATM Q13315 1/20 0.46
AKR1B1 P15121 1/20 0.45
CHEK1 O14757 1/20 0.44
MAP2K3 P46734 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL6619632 0.86 IKBKB (0.64) IKBKBATRPRKDCATMAKR1B1
SCHEMBL6987949 0.86 IKBKB (0.51) IKBKBATRPRKDCLDHAATM
SCHEMBL3461817 0.82 IKBKB (0.49) IKBKBATRPRKDCATMALDH1A1
SCHEMBL20899047 0.81 LDHA (0.50) IKBKBATRPRKDCLDHAATM
SCHEMBL318797 0.81 ATR (0.68) IKBKBATRPRKDCATM
SCHEMBL26986900 0.79 IKBKB (0.48) IKBKBATRPRKDCLDHAAKR1B1
SCHEMBL28918651 0.77 ALDH1A1 (0.56) IKBKBATRPRKDCLDHAALDH1A1
SCHEMBL319167 0.77 ASIC3 (0.57) IKBKBATRPRKDCLDHAATM
SCHEMBL11146891 0.76 IKBKB (0.60) IKBKBATRPRKDCLDHAATM
SCHEMBL28283875 0.76 BCHE (0.46) ATRALDH1A1MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US disclosed
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US disclosed
WO-2007050383-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO disclosed
WO-2007050401-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 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 (3 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-20090291941-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, RET IKBKB 576/4885ATR 907/4885PRKDC 83/4885
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 IKBKB 413/4885ATR 4853/4885PRKDC 4822/4885
US-20090131423-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET IKBKB 440/4885ATR 1059/4885PRKDC 55/4885

“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.