SCHEMBL17865675

SCHEMBL17865675

Cc1cc(NCC2CCOCC2)c2[nH]c(CN3CCNC(=O)C3)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 3/20 0.34
ATM Q13315 1/20 0.34
FGFR1 P11362 2/20 0.33
FGFR3 P22607 2/20 0.33
BRD4 O60885 2/20 0.33
ATAD2 Q6PL18 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
PIK3CD O00329 1/20 0.32
SYK P43405 1/20 0.31
KCNH2 Q12809 1/20 0.31
AURKB Q96GD4 1/20 0.31
RIPK2 O43353 1/20 0.31
CCNT1 O60563 2/20 0.31
CDK9 P50750 2/20 0.31
MEN1 O00255 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 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
SCHEMBL17865664 0.92 BRD4 (0.40) KDM4EALDH1A1KMT2AATMFGFR1
SCHEMBL17865677 0.89 KMT2A (0.39) KDM4EALDH1A1KMT2AATMFGFR3
SCHEMBL17865640 0.82 NPC1 (0.34) ALDH1A1KMT2ABRD4PIK3CDRIPK2
SCHEMBL17865701 0.80 KMT2A (0.35) KDM4EALDH1A1KMT2AATMMKNK1
SCHEMBL3034662 0.79 BRD4 (0.31) BRD4ATAD2RIPK2
SCHEMBL3420161 0.79 BRD4 (0.31) BRD4ATAD2RIPK2
SCHEMBL3000153 0.77 CSF1R (0.41) KDM4EALDH1A1KMT2AATMMKNK1
SCHEMBL3034664 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL3005858 0.70 KDM4E (0.40) KDM4EALDH1A1KMT2AATMMKNK1
SCHEMBL16525573 0.69 KMT2A (0.40) KDM4EALDH1A1KMT2AATMFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927097-B2 Indole compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2021-02-23 US claimed
EP-3037418-B1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2019-10-02 EP claimed
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-14 US claimed
US-10927097-B2 Indole compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2021-02-23 US disclosed
EP-3037418-B1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2019-10-02 EP 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 KDM4E 3948/4885ALDH1A1 3181/4885KMT2A 4108/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF KDM4E 3410/4885ALDH1A1 3023/4885KMT2A 3771/4885

“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.