SCHEMBL20174656

SCHEMBL20174656

c1ccc2c(c1)-c1cccc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)c1C21c2ccccc2-c2c1sc1ccccc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE5A O76074 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL20174637 0.84 PDK2 (0.34) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL20174536 0.83 KDM4E (0.36) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL20179311 0.82 ALK (0.30)
SCHEMBL22326545 0.81 PDK2 (0.32)
SCHEMBL20174578 0.81 MEN1 (0.36) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL20174591 0.80 L3MBTL1 (0.33) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL20174663 0.79 PDK2 (0.47) KDM4ENPC1RAB9A
SCHEMBL19008468 0.78 MEN1 (0.35) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL20174566 0.78 MEN1 (0.35) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL20174574 0.78 ALDH1A1 (0.35) KDM4EMAPTALDH1A1HPGDSMN1; SMN2

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 3633/4885NPC1 2492/4885RAB9A 2250/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG KDM4E 3633/4885NPC1 2492/4885RAB9A 2250/4885

“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.