SCHEMBL20174414

SCHEMBL20174414

c1cncc(-c2nc(-c3cccnc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3oc3ccccc43)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 4/20 0.38
PDK2 Q15119 4/20 0.37
CYP11B1 P15538 1/20 0.36
TSHR P16473 5/20 0.35
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 4/20 0.35
CLK4 Q9HAZ1 3/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
GBA1 P04062 1/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 3/20 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
SCHEMBL20174383 0.85 ALDH1A1 (0.41) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL20174376 0.85 MAPK14 (0.37) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL20174716 0.84 ALDH1A1 (0.40) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL20174385 0.83 KMT2A (0.34) ALDH1A1MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL20174270 0.82 ALDH1A1 (0.41) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL20174418 0.82 PDK2 (0.43) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL20174364 0.81 KMT2A (0.39) ALDH1A1MAPTKDM4EHPGDPDK2
SCHEMBL19164034 0.81 PDK2 (0.46) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL20174400 0.81 S1PR1 (0.34) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL20174406 0.81 KMT2A (0.38) ALDH1A1MAPTKDM4EHPGDPDK2

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.