SCHEMBL20174636

SCHEMBL20174636

c1ccc(-c2nc(-c3ccccn3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3sc3ccccc43)n2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
TDP1 Q9NUW8 2/20 0.41
MIF P14174 1/20 0.39
GABRA1 P14867 1/20 0.39
TP53 P04637 4/20 0.38
NPC1 O15118 4/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 1/20 0.38
TGFBR1 P36897 1/20 0.36
METAP1 P53582 1/20 0.35
RAB9A P51151 5/20 0.35
TSHR P16473 1/20 0.35
KRAS P01116 1/20 0.34
ALOX15 P16050 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL20174645 0.85 KDM4E (0.38) KDM4ETDP1MIFGABRA1TP53
SCHEMBL20174576 0.83 MAPT (0.33) KDM4ETDP1TP53MAPTALDH1A1
SCHEMBL20174591 0.83 L3MBTL1 (0.33) KDM4ETDP1TP53MAPTALDH1A1
SCHEMBL20174510 0.82 KDM4E (0.41) KDM4ETDP1MIFGABRA1TP53
SCHEMBL20174635 0.80 SLC9A1 (0.32) ADORA2AADORA1
SCHEMBL20174649 0.80 PDK2 (0.44) KDM4EMIFGABRA1TP53NPC1
SCHEMBL20174674 0.80 NPC1 (0.34) KDM4ENPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL20174664 0.78 PDK2 (0.44) KDM4EMIFGABRA1TP53NPC1
SCHEMBL20174613 0.78 S1PR5 (0.36) KDM4ETDP1TP53MAPTALDH1A1
SCHEMBL20174564 0.77 SLC9A1 (0.33) KDM4ETDP1TP53MAPTALDH1A1

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.