SCHEMBL20174632

SCHEMBL20174632

c1cncc(-c2nc(-c3cccnc3)nc(-c3cccc4c3-c3c(sc5ccccc35)C43c4ccccc4-c4ccccc43)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PDK2 Q15119 2/20 0.37
GBA1 P04062 4/20 0.36
NPC1 O15118 2/20 0.36
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CLK4 Q9HAZ1 3/20 0.35
TSHR P16473 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL20174654 0.85 PDK2 (0.39) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL18731773 0.84 ALDH1A1 (0.36) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL20174577 0.81 ADORA2A (0.32) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL22326584 0.81 S1PR5 (0.36) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL20174662 0.81 PDK2 (0.43) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL20174581 0.81 TSHR (0.36) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL20174595 0.81 MEN1 (0.33) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL20174591 0.80 L3MBTL1 (0.33) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL20174599 0.80 ALOX5 (0.32) L3MBTL1
SCHEMBL20174659 0.78 ALK (0.32) 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 ALDH1A1 33/4885MAPT 811/4885RAB9A 2250/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG ALDH1A1 33/4885MAPT 811/4885RAB9A 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.