SCHEMBL3122011

SCHEMBL3122011

CC(C)(C)OC(=O)Nc1nc2ccc(CN)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.60
RAB9A P51151 4/20 0.51
CSNK1D P48730 1/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
DYRK1A Q13627 1/20 0.48
PTPN1 P18031 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL29506736 0.88 LCK (0.60) LCKRAB9ACSNK1DLMNANPC1
SCHEMBL28706165 0.88 LCK (0.60) LCKRAB9ACSNK1DLMNANPC1
SCHEMBL20703352 0.87 LCK (0.59) LCKRAB9ACSNK1DLMNANPC1
SCHEMBL13035331 0.87 LCK (0.59) LCKRAB9ACSNK1DLMNANPC1
SCHEMBL29506738 0.85 LCK (0.69) LCKRAB9ANPC1SMN1; SMN2TP53
SCHEMBL17090573 0.85 LCK (0.69) LCKRAB9ANPC1SMN1; SMN2TP53
SCHEMBL3943412 0.84 LCK (0.61) LCKRAB9ANPC1SMN1; SMN2
SCHEMBL30263005 0.84 LCK (0.61) LCKRAB9ANPC1SMN1; SMN2
SCHEMBL2666847 0.83 DYRK1A (0.67) LCKRAB9ADYRK1A
SCHEMBL10118217 0.81 RAB9A (0.76) LCKRAB9ACSNK1DNPC1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132178-B1 JNK INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
EP-2134713-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2009-12-23 EP disclosed
EP-2132178-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2009-12-16 EP disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO disclosed
WO-2008082487-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 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-20100179141-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK5, MAPK15 LCK 50/4885RAB9A 2236/4885CSNK1D 129/4885
US-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 LCK 76/4885RAB9A 1965/4885CSNK1D 173/4885

“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.