SCHEMBL20174645

SCHEMBL20174645

c1ccc(-c2nc(-c3ccc4c(c3)-c3c(sc5ccccc35)C43c4ccccc4-c4ccccc43)nc(-c3ccccn3)n2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
MIF P14174 1/20 0.36
GABRA1 P14867 1/20 0.36
PDK2 Q15119 1/20 0.36
MAPK14 Q16539 2/20 0.35
HSD17B10 Q99714 4/20 0.33
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
HPGD P15428 1/20 0.33
METAP1 P53582 1/20 0.33

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
SCHEMBL20174664 0.90 PDK2 (0.44) KDM4EMIFGABRA1PDK2HSD17B10
SCHEMBL20174671 0.88 PDK2 (0.40) KDM4EMIFGABRA1PDK2MAPK14
SCHEMBL20174637 0.86 PDK2 (0.34) KDM4EPDK2HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL20174640 0.86 L3MBTL1 (0.32) L3MBTL1
SCHEMBL20174636 0.85 KDM4E (0.41) KDM4ETDP1MIFGABRA1MAPK14
SCHEMBL20174565 0.84 MEN1 (0.34) KDM4EPDK2ALDH1A1SMN1; SMN2MAPT
SCHEMBL20174649 0.83 PDK2 (0.44) KDM4EMIFGABRA1PDK2HSD17B10
SCHEMBL19008468 0.82 MEN1 (0.35) KDM4EPDK2ALDH1A1MAPTHPGD
SCHEMBL20174734 0.82 MEN1 (0.38) KDM4ETDP1ALDH1A1MAPTMAPK1
SCHEMBL20174658 0.82 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 KDM4E 3633/4885TDP1 4309/4885MIF 1940/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG KDM4E 3633/4885TDP1 4309/4885MIF 1940/4885

“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.