SCHEMBL173292

SCHEMBL173292

O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CCCNC1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 5/20 0.74
ITK Q08881 3/20 0.53
CLK2 P49760 3/20 0.52
CLK3 P49761 3/20 0.52
DYRK1A Q13627 3/20 0.52
LRRK2 Q5S007 4/20 0.51
PDPK1 O15530 1/20 0.50
MAPK3 P27361 1/20 0.49
MAPK1 P28482 1/20 0.49
MAP2K2 P36507 1/20 0.49
MAP2K1 Q02750 1/20 0.49
MAPK6 Q16659 1/20 0.49

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
SCHEMBL13854959 0.84 ULK1 (0.62) ULK1ITKCLK2CLK3DYRK1A
SCHEMBL173496 0.81 MAPK1 (0.55) ULK1ITKCLK2CLK3DYRK1A
SCHEMBL168798 0.80 LRRK2 (0.50) ULK1LRRK2MAPK3MAPK1MAP2K2
SCHEMBL15046120 0.80 LRRK2 (0.50) ULK1LRRK2PDPK1MAPK3MAPK1
SCHEMBL173378 0.79 ULK1 (0.49) ULK1ITKLRRK2PDPK1MAPK3
SCHEMBL1552756 0.79 ULK1 (0.56) ULK1LRRK2MAPK1
SCHEMBL15021624 0.79 PDPK1 (0.48) ULK1LRRK2PDPK1
SCHEMBL4667493 0.78 LRRK2 (0.58) ULK1ITKLRRK2PDPK1
SCHEMBL173538 0.77 ULK1 (0.46) ULK1LRRK2PDPK1MAPK3MAPK1
SCHEMBL168269 0.77 MAPK1 (0.56) ULK1ITKPDPK1MAPK3MAPK1

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 10 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 claimed
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-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
EP-2613782-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-17 EP 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 303/4885ITK 1447/4885CLK2 697/4885

“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.