SCHEMBL17865664

SCHEMBL17865664

Cc1cc(NCC2CCNCC2)c2[nH]c(CN3CCNC(=O)C3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.40
ATAD2 Q6PL18 2/20 0.40
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
SYK P43405 1/20 0.33
KCNH2 Q12809 1/20 0.33
AURKB Q96GD4 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
PDE5A O76074 2/20 0.32
GRM5 P41594 1/20 0.32
FGFR1 P11362 6/20 0.32
FGFR3 P22607 4/20 0.32
PDE10A Q9Y233 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
SCHEMBL17865675 0.92 KDM4E (0.36) BRD4ATAD2KDM4EALDH1A1KMT2A
SCHEMBL17865677 0.80 KMT2A (0.39) KDM4EALDH1A1KMT2AATMSYK
SCHEMBL17865640 0.73 NPC1 (0.34) BRD4ALDH1A1KMT2APIM1PIM2
SCHEMBL17865701 0.72 KMT2A (0.35) KDM4EALDH1A1KMT2AATMSYK
SCHEMBL3420161 0.71 BRD4 (0.31) BRD4ATAD2
SCHEMBL3034662 0.71 BRD4 (0.31) BRD4ATAD2
SCHEMBL16525573 0.71 KMT2A (0.40) KDM4EALDH1A1KMT2AATMSYK
SCHEMBL3000153 0.68 CSF1R (0.41) KDM4EALDH1A1KMT2AATMPDE5A
SCHEMBL17865696 0.66 KMT2A (0.46) KDM4EALDH1A1KMT2AATMFGFR1
SCHEMBL16525580 0.65 SYK (0.38) BRD4ATAD2KMT2AATMSYK

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 8 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
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
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 BRD4 2391/4885ATAD2 3099/4885KDM4E 3948/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF BRD4 2061/4885ATAD2 2883/4885KDM4E 3410/4885

“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.