SCHEMBL13629318

SCHEMBL13629318

O=c1c2cccnc2cnc2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.40
MET P08581 1/20 0.39
NCOA1 Q15788 1/20 0.38
CYP3A4 P08684 1/20 0.37
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPK14 Q16539 2/20 0.36
POLB P06746 2/20 0.36
PARP1 P09874 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL2290363 0.84 MAPT (0.58) KDM4EMAPTLMNAALDH1A1NCOA1
SCHEMBL13629295 0.82 KDM4E (0.52) KDM4EMAPTLMNAALDH1A1MET
SCHEMBL13629319 0.79 KDM4C (0.47) KDM4EMAPTALDH1A1METNCOA1
SCHEMBL13629310 0.79 ALDH1A1 (0.43) KDM4EMAPTLMNAALDH1A1CYP3A4
SCHEMBL13859959 0.79 MAPT (0.71) KDM4EMAPTLMNAALDH1A1MET
SCHEMBL13629308 0.76 KDM4E (0.45) KDM4EMAPTLMNAALDH1A1MET
SCHEMBL13629307 0.75 IDO1 (0.43) KDM4ELMNAALDH1A1HTTMAPK14
SCHEMBL13166528 0.74 LMNA (0.41) KDM4EMAPTLMNAALDH1A1MET
SCHEMBL13166525 0.74 KDM4E (0.45) KDM4EMAPTLMNAALDH1A1NCOA1
SCHEMBL25666742 0.72 LMNA (0.46) KDM4EMAPTLMNACYP3A4MEN1

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 KDM4E 791/4885MAPT 3080/4885LMNA 3170/4885
US-20090131423-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET KDM4E 958/4885MAPT 2557/4885LMNA 4646/4885

“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.