SCHEMBL20174399

SCHEMBL20174399

c1ccc(-c2nc(-c3ccc4c(c3)-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)nc(-c3ccccn3)n2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDK2 Q15119 1/20 0.36
SMN1; SMN2 Q16637 8/20 0.35
TP53 P04637 7/20 0.35
HSD17B10 Q99714 6/20 0.35
NPC1 O15118 6/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.35
HPGD P15428 4/20 0.35
MAPK1 P28482 3/20 0.35
TSHR P16473 4/20 0.34
PKM P14618 5/20 0.33
GRM5 P41594 3/20 0.33
LMNA P02545 2/20 0.33
KLF5 Q13887 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
METAP1 P53582 1/20 0.33
RAB9A P51151 6/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL20174416 0.90 PDK2 (0.44) KDM4EPDK2SMN1; SMN2TP53HSD17B10
SCHEMBL20174423 0.88 PDK2 (0.40) KDM4EPDK2SMN1; SMN2TP53HSD17B10
SCHEMBL20174400 0.86 S1PR1 (0.34) KDM4ETDP1SMN1; SMN2TP53HSD17B10
SCHEMBL20174376 0.86 MAPK14 (0.37) KDM4EPDK2SMN1; SMN2HSD17B10NPC1
SCHEMBL20174394 0.85 KDM4E (0.41) KDM4ETDP1SMN1; SMN2TP53HSD17B10
SCHEMBL20174403 0.82 PDK2 (0.43) KDM4EPDK2SMN1; SMN2TP53HSD17B10
SCHEMBL20174413 0.82 ALK (0.35) MAPTTSHRLMNAKMT2A
SCHEMBL20174417 0.81 ALK (0.33)
SCHEMBL20174359 0.81 KMT2A (0.34) KDM4EPDK2ALDH1A1MAPTHPGD
SCHEMBL20174414 0.80 ALDH1A1 (0.38) KDM4ETDP1PDK2SMN1; SMN2TP53

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 4309/4885PDK2 651/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG KDM4E 3633/4885TDP1 4309/4885PDK2 651/4885

“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.