SCHEMBL17865716

SCHEMBL17865716

Clc1cc(NC2CCOCC2)c2[nH]c(C3CCNCC3)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 14/20 0.38
CCNT1 O60563 12/20 0.38
MAPK1 P28482 1/20 0.35
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
ERN1 O75460 1/20 0.32
PLG P00747 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
PRKAA1 Q13131 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
SCHEMBL17865657 0.89 HRH4 (0.40) CDK9CCNT1BRD4ATAD2
SCHEMBL17865687 0.86 BRD4 (0.40) CDK9CCNT1MAPK1BRD4ATAD2
SCHEMBL17865641 0.75 PLAT (0.39) BRD4ATAD2JAK1
SCHEMBL17865681 0.74 BRD4 (0.42) CDK9CCNT1BRD4ATAD2PLG
SCHEMBL3009007 0.74 CSF1R (0.51) MAPK1ERN1JAK2JAK1TYK2
SCHEMBL17865496 0.71 HRH4 (0.42) BRD4ATAD2
SCHEMBL3014663 0.70 BRD4 (0.43) MAPK1BRD4ATAD2JAK1
SCHEMBL3009677 0.69 CARM1 (0.35) CCNT1MAPK1BRD4ATAD2
SCHEMBL1278081 0.69 HTR2B (0.32) MAPK1JAK2JAK1TYK2JAK3
SCHEMBL1278084 0.69 HTR2B (0.32) MAPK1JAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-14 US claimed
EP-3037418-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP claimed
US-10927097-B2 Indole compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2021-02-23 US disclosed
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-14 US disclosed
EP-3037418-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP 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-10927097-B2 Indole compound as inhibitor of necrosis IDO1, IDO2, TNF CDK9 799/4885CCNT1 2074/4885MAPK1 537/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF CDK9 683/4885CCNT1 1790/4885MAPK1 462/4885

“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.