SCHEMBL13629308

SCHEMBL13629308

O=c1c2cccnc2cnc2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 2/20 0.39
HSP90AA1 P07900 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PARP1 P09874 3/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
IDO1 P14902 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PSMD14 O00487 1/20 0.37
COPS5 Q92905 1/20 0.37
NCOA1 Q15788 1/20 0.37
ACVR1 Q04771 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 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
SCHEMBL13859943 0.85 MAPT (0.58) KDM4EMAPTLMNANPC1HSP90AA1
SCHEMBL13629295 0.85 KDM4E (0.52) KDM4EMAPTLMNANPC1HSP90AA1
SCHEMBL13192814 0.84 KDM4E (0.55) KDM4EMAPTLMNANPC1HSP90AA1
SCHEMBL13629319 0.78 KDM4C (0.47) KDM4EMAPTL3MBTL1PARP1ALDH1A1
SCHEMBL2231455 0.76 KDM4E (0.68) KDM4EMAPTLMNAHSP90AA1POLB
SCHEMBL13629318 0.76 KDM4E (0.45) KDM4EMAPTLMNANPC1HSP90AA1
SCHEMBL30748237 0.75
SCHEMBL13859958 0.74 LMNA (0.72) KDM4EMAPTLMNANPC1HSP90AA1
SCHEMBL13859959 0.73 MAPT (0.71) KDM4EMAPTLMNANPC1HSP90AA1
SCHEMBL13166555 0.73 KDM4E (0.40) KDM4EMAPTLMNAPARP1POLB

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.