SCHEMBL13629307

SCHEMBL13629307

O=c1c2cnccc2cnc2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
LMNA P02545 1/20 0.39
KDM4E B2RXH2 3/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
RAD52 P43351 1/20 0.37
MAPK14 Q16539 1/20 0.36
TBK1 Q9UHD2 2/20 0.36
IKBKE Q14164 1/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
PARP1 P09874 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
AXL P30530 1/20 0.34
NUDT1 P36639 1/20 0.34
AURKA O14965 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34

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
SCHEMBL25666731 0.86 LMNA (0.47) IDO1LMNAKDM4EHTTPOLB
SCHEMBL13629310 0.84 ALDH1A1 (0.43) IDO1LMNAKDM4EPARP1ALDH1A1
SCHEMBL13859954 0.77 CYP3A4 (0.53) LMNAKDM4EHTTMAPK14TNF
SCHEMBL13629318 0.75 KDM4E (0.45) LMNAKDM4EHTTPOLBMAPK14
SCHEMBL7825605 0.73 MAPK14 (0.54) KDM4EHTTPOLBRAD52MAPK14
SCHEMBL30598019 0.72 KDM4E (0.54) LMNAKDM4EHTTPARP1ALDH1A1
SCHEMBL2406867 0.72 KDM4E (0.54) LMNAKDM4EHTTPARP1ALDH1A1
SCHEMBL13166553 0.71 LMNA (0.37) IDO1LMNAKDM4EPARP1ALDH1A1
SCHEMBL28661854 0.71 KDM4E (0.52) LMNAKDM4EHTTPARP1ALDH1A1
SCHEMBL29077538 0.71 KDM4E (0.52) LMNAKDM4EHTTPARP1ALDH1A1

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 5 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
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 IDO1 2375/4885LMNA 3170/4885KDM4E 791/4885
US-20090131423-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET IDO1 2073/4885LMNA 4646/4885KDM4E 958/4885

“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.