SCHEMBL869189

SCHEMBL869189

CC(C)n1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 12/20 0.82
EIF2AK3 Q9NZJ5 10/20 0.82
EIF2AK2 P19525 3/20 0.82
EIF2AK1 Q9BQI3 3/20 0.82
NTRK1 P04629 2/20 0.82
LCK P06239 2/20 0.82
YES1 P07947 2/20 0.82
RET P07949 2/20 0.82
KIT P10721 2/20 0.82
AXL P30530 2/20 0.82
MAP3K9 P80192 2/20 0.82
MAP3K10 Q02779 2/20 0.82
MERTK Q12866 2/20 0.82
PTK6 Q13882 2/20 0.82
NTRK3 Q16288 2/20 0.82
NTRK2 Q16620 2/20 0.82
DDR2 Q16832 2/20 0.82
AURKB Q96GD4 2/20 0.82
MAP4K5 Q9Y4K4 2/20 0.82
CYP1A2 P05177 1/20 0.82

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
SCHEMBL29384284 0.90 EIF2AK3 (1.00) RIPK1EIF2AK3EIF2AK2EIF2AK1NTRK1
SCHEMBL868254 0.90 EIF2AK3 (1.00) RIPK1EIF2AK3EIF2AK2EIF2AK1NTRK1
SCHEMBL29403654 0.90 EIF2AK3 (1.00) RIPK1EIF2AK3EIF2AK2EIF2AK1NTRK1
SCHEMBL30500616 0.90 EIF2AK3 (1.00) RIPK1EIF2AK3EIF2AK2EIF2AK1NTRK1
SCHEMBL869284 0.89 RIPK1 (0.80) RIPK1EIF2AK3EIF2AK2EIF2AK1NTRK1
SCHEMBL870488 0.86 RIPK1 (0.81) RIPK1EIF2AK3EIF2AK2EIF2AK1NTRK1
SCHEMBL868474 0.86 RIPK1 (0.80) RIPK1EIF2AK3EIF2AK2EIF2AK1NTRK1
SCHEMBL869982 0.85 RIPK1 (0.78) RIPK1EIF2AK3EIF2AK2EIF2AK1NTRK1
SCHEMBL17755577 0.85 RIPK1 (0.70) RIPK1EIF2AK3EIF2AK2EIF2AK1NTRK1
SCHEMBL869006 0.85 RIPK1 (0.77) RIPK1EIF2AK3EIF2AK2EIF2AK1NTRK1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP claimed
CN-102917588-B Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-10-08 CN claimed
US-20140227289-A1 COMPOUNDS AND METHODS FOR TREATING INSULIN RESISTANCE SYNDROME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-08-14 US claimed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US claimed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US claimed
WO-2012158123-A1 COMPOUNDS AND METHODS FOR TREATING INSULIN RESISTANCE SYNDROME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-11-22 WO claimed
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
CN-102917588-B Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-10-08 CN disclosed
US-20140227289-A1 COMPOUNDS AND METHODS FOR TREATING INSULIN RESISTANCE SYNDROME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-08-14 US disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
WO-2012158123-A1 COMPOUNDS AND METHODS FOR TREATING INSULIN RESISTANCE SYNDROME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-11-22 WO disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R RIPK1 218/4885EIF2AK3 16/4885EIF2AK2 174/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R RIPK1 218/4885EIF2AK3 16/4885EIF2AK2 174/4885

“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.