SCHEMBL20174637

SCHEMBL20174637

c1ccc2c(c1)-c1ccccc1C21c2ccc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc2-c2c1sc1ccccc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
PDE5A O76074 1/20 0.30
POLB P06746 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL20174565 0.89 MEN1 (0.34) PDK2KDM4EMAPTALDH1A1HPGD
SCHEMBL20174640 0.87 L3MBTL1 (0.32) L3MBTL1HSP90AA1
SCHEMBL20174645 0.86 KDM4E (0.38) PDK2KDM4ENPC1RAB9AMAPT
SCHEMBL20179311 0.86 ALK (0.30) PDK2
SCHEMBL22326545 0.85 PDK2 (0.32) PDK2
SCHEMBL20174654 0.85 PDK2 (0.39) PDK2KDM4ENPC1RAB9AMAPT
SCHEMBL19008468 0.85 MEN1 (0.35) PDK2KDM4EMAPTALDH1A1HPGD
SCHEMBL20174656 0.84 KDM4E (0.35) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL20174734 0.84 MEN1 (0.38) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL20174658 0.84 ALK (0.35) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US 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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG PDK2 651/4885KDM4E 3633/4885NPC1 2492/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885KDM4E 3633/4885NPC1 2492/4885

“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.