SCHEMBL254467

SCHEMBL254467

COC(=O)c1n[nH]c2ccc(NC(=O)C3CNCCS3)cc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 9/20 0.49
NAMPT P43490 1/20 0.47
KDM4E B2RXH2 1/20 0.44
STAT3 P40763 1/20 0.44
HIF1A Q16665 1/20 0.44
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39
FLT3 P36888 1/20 0.39
HAO1 Q9UJM8 2/20 0.38
ITK Q08881 1/20 0.38
CSNK2A1 P68400 1/20 0.37
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 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
SCHEMBL15046120 0.81 LRRK2 (0.50) ULK1
SCHEMBL173502 0.77 NAMPT (0.46) ULK1NAMPTKDM4ESTAT3HIF1A
SCHEMBL176794 0.74 MAPK1 (0.46) NAMPT
SCHEMBL18197033 0.71 MAP2K1 (0.36) ULK1
SCHEMBL17728948 0.69 RAB9A (0.48)
SCHEMBL18197001 0.68 MAP2K1 (0.33) ULK1NAMPT
SCHEMBL4793050 0.68 KDM4E (0.65) NAMPTKDM4ESTAT3HIF1AFLT3
SCHEMBL173308 0.68 KDM4E (0.65) ULK1NAMPTKDM4ESTAT3HIF1A
SCHEMBL13245137 0.67 KDM4E (0.60) NAMPTKDM4ESTAT3HIF1ANTRK1
SCHEMBL4291226 0.67 KDM4E (0.63) NAMPTKDM4ESTAT3HIF1AFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 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 (1 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-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MAPK3, MAPK1, MAP3K1 ULK1 303/4885NAMPT 1686/4885KDM4E 1874/4885

“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.