SCHEMBL3032060

SCHEMBL3032060

CNC(=O)CC1CSC(c2cc3cc(Cl)cc(NCC4CCOCC4)c3[nH]2)=N1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNK O75909 4/20 0.33
CDK9 P50750 4/20 0.33
CNR2 P34972 8/20 0.32
CYP2C9 P11712 5/20 0.32
CYP3A4 P08684 4/20 0.32
CYP1A2 P05177 4/20 0.32
CYP2C19 P33261 4/20 0.32
CYP2D6 P10635 3/20 0.32
SYK P43405 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
RIPK2 O43353 1/20 0.32
TDO2 P48775 1/20 0.32
IDH1 O75874 1/20 0.31
CNR1 P21554 1/20 0.31
LRRK2 Q5S007 1/20 0.31
P2RX3 P56373 1/20 0.31
CSF1R P07333 1/20 0.31

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
SCHEMBL3032057 1.00 CCNK (0.33) CCNKCDK9CNR2CYP2C9CYP3A4
SCHEMBL3029306 0.91 CSF1R (0.33) CCNKCDK9CNR2CYP2C9CYP3A4
SCHEMBL3029304 0.91 CSF1R (0.33) CCNKCDK9CNR2CYP2C9CYP3A4
SCHEMBL1277711 0.89 MAPK1 (0.35)
SCHEMBL1277710 0.89 MAPK1 (0.35)
SCHEMBL3019811 0.87 LRRK2 (0.36) CCNKCDK9CNR2CYP2C9CYP3A4
SCHEMBL3019812 0.87 LRRK2 (0.36) CCNKCDK9CNR2CYP2C9CYP3A4
SCHEMBL3031808 0.87 RIPK2 (0.35) CNR2CYP3A4RXFP1RIPK2CNR1
SCHEMBL3031811 0.87 RIPK2 (0.35) CNR2CYP3A4RXFP1RIPK2CNR1
SCHEMBL3019937 0.82 RIPK2 (0.34) SYKRIPK2CSF1R

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 CCNK 1711/4885CDK9 580/4885CNR2 445/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF CCNK 1711/4885CDK9 580/4885CNR2 445/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF CCNK 1711/4885CDK9 580/4885CNR2 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.