SCHEMBL3031808

SCHEMBL3031808

CNC(=O)C[C@@H]1CSC(c2cc3cccc(NCC4CCOCC4)c3[nH]2)=N1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TTK P33981 10/20 0.33
KCNH3 Q9ULD8 1/20 0.33
CYP3A4 P08684 2/20 0.33
VNN1 O95497 1/20 0.33
CSF1R P07333 1/20 0.33
FYN P06241 1/20 0.33
TYK2 P29597 1/20 0.32
CREBBP Q92793 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL3031811 1.00 RIPK2 (0.35) RIPK2CNR1CNR2TTKKCNH3
SCHEMBL1278019 0.91 KCNH3 (0.36) RIPK2CNR1CNR2TTKKCNH3
SCHEMBL1278017 0.91 KCNH3 (0.36) RIPK2CNR1CNR2TTKKCNH3
SCHEMBL1277476 0.89 BRD4 (0.38) TYK2
SCHEMBL1277472 0.89 BRD4 (0.38) TYK2
SCHEMBL3024062 0.87 RIPK1 (0.35) RIPK2CNR1CNR2TTKCYP3A4
SCHEMBL3024058 0.87 RIPK1 (0.35) RIPK2CNR1CNR2TTKCYP3A4
SCHEMBL3032057 0.87 CCNK (0.33) RIPK2CNR1CNR2CYP3A4CSF1R
SCHEMBL3032060 0.87 CCNK (0.33) RIPK2CNR1CNR2CYP3A4CSF1R
SCHEMBL1277990 0.82 BRD4 (0.39)

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
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US claimed
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP claimed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO claimed
US-8889691-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2014-11-18 US disclosed
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2014-01-23 US disclosed
US-8569307-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-10-29 US disclosed
US-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEM, LTD. (KR) 2012-10-04 US disclosed
US-8222414-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2012-07-17 US disclosed
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US disclosed
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 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 (3 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-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF RIPK2 55/4885CNR1 650/4885CNR2 445/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF RIPK2 55/4885CNR1 650/4885CNR2 445/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF RIPK2 55/4885CNR1 650/4885CNR2 445/4885

“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.