SCHEMBL20174654

SCHEMBL20174654

c1cncc(-c2nc(-c3cccnc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3sc3ccccc43)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.39
CYP11B1 P15538 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 4/20 0.35
MAPT P10636 4/20 0.35
CLK4 Q9HAZ1 3/20 0.35
TSHR P16473 3/20 0.35
HPGD P15428 3/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
GBA1 P04062 2/20 0.35
NPC1 O15118 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HSD17B10 Q99714 2/20 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
SCHEMBL20174565 0.89 MEN1 (0.34) PDK2ALDH1A1MAPTHPGDKDM4E
SCHEMBL20174632 0.85 ALDH1A1 (0.39) PDK2CYP11B1ALDH1A1CYP1A2CYP3A4
SCHEMBL20174637 0.85 PDK2 (0.34) PDK2ALDH1A1MAPTHPGDRAB9A
SCHEMBL20174736 0.84 S1PR5 (0.35) ALDH1A1CYP1A2MAPTHPGDKDM4E
SCHEMBL19008468 0.84 MEN1 (0.35) PDK2ALDH1A1MAPTHPGDKDM4E
SCHEMBL20174530 0.84 ALDH1A1 (0.38) PDK2CYP11B1ALDH1A1CYP1A2CYP3A4
SCHEMBL20174511 0.83 ALDH1A1 (0.39) PDK2CYP11B1ALDH1A1CYP1A2CYP3A4
SCHEMBL20174627 0.83 S1PR5 (0.34) ALDH1A1CYP1A2KDM4ESMN1; SMN2HSD17B10
SCHEMBL20174623 0.81 MEN1 (0.39) PDK2ALDH1A1MAPTHPGDKDM4E
SCHEMBL19164034 0.81 PDK2 (0.46) PDK2CYP11B1ALDH1A1CYP1A2CYP3A4

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 651/4885CYP11B1 618/4885ALDH1A1 33/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885CYP11B1 618/4885ALDH1A1 33/4885

“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.