SCHEMBL13629341

SCHEMBL13629341

C=Cc1ncc(-c2ccccc2)nc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
ATR Q13535 5/20 0.45
PRKDC P78527 4/20 0.45
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
GAA P10253 2/20 0.43
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40

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
SCHEMBL13629325 0.83 IKBKB (0.45) IKBKBATRPRKDCL3MBTL1
SCHEMBL3462566 0.81 ATR (0.66) ATRPRKDC
SCHEMBL3461817 0.81 IKBKB (0.49) IKBKBATRPRKDCALDH1A1SMN1; SMN2
SCHEMBL3461782 0.80 IKBKB (0.48) IKBKBATRPRKDCALDH1A1SMN1; SMN2
SCHEMBL3460430 0.79 IKBKB (0.53) IKBKBATRPRKDCALDH1A1SMN1; SMN2
SCHEMBL13859969 0.78 PLA2G2A (0.47) ATRPRKDCALDH1A1SMN1; SMN2KDM4E
SCHEMBL336653 0.77 ATR (0.53) IKBKBATRPRKDCALDH1A1SMN1; SMN2
SCHEMBL6057019 0.77 PDCD1 (0.48) IKBKBATRPRKDCALDH1A1SMN1; SMN2
SCHEMBL13629327 0.76 PLA2G2A (0.45) ATRPRKDCALDH1A1SMN1; SMN2KDM4E
SCHEMBL336700 0.76 SMN1; SMN2 (0.48) IKBKBATRPRKDCALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090291941-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, RET IKBKB 576/4885ATR 907/4885PRKDC 83/4885
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.