SCHEMBL20174416

SCHEMBL20174416

c1ccc(-c2ccc3c(c2)-c2c(oc4ccccc24)C32c3ccccc3-c3ccccc32)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.44
NPY5R Q15761 1/20 0.35
PRKDC P78527 1/20 0.33
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
ALK Q9UM73 1/20 0.32
DHODH Q02127 1/20 0.32
HSD11B1 P28845 1/20 0.32
AHR P35869 1/20 0.32
ALOX5 P09917 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL20174423 0.95 PDK2 (0.40) PDK2NPY5RPRKDCHSD17B10KDM4E
SCHEMBL20174399 0.90 KDM4E (0.38) PDK2NPY5RHSD17B10KDM4ENPC1
SCHEMBL20174403 0.89 PDK2 (0.43) PDK2NPY5RPRKDCHSD17B10KDM4E
SCHEMBL20174295 0.81 PDK2 (0.44) PDK2NPY5RPRKDCHSD17B10KDM4E
SCHEMBL20174401 0.81 GRM4 (0.33) PDK2HSD17B10KDM4EALDH1A1TP53
SCHEMBL20174363 0.81 PDK2 (0.34) PDK2KDM4EALDH1A1HPGDALK
SCHEMBL20174376 0.80 MAPK14 (0.37) PDK2HSD17B10KDM4ENPC1ALDH1A1
SCHEMBL20174312 0.80 MAPK1 (0.32) PDK2ALDH1A1HPGDALOX5L3MBTL1
SCHEMBL20174434 0.79 KDM4E (0.36) PDK2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL22326573 0.79 S1PR1 (0.32) HSD17B10KDM4ENPC1ALDH1A1TP53

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 651/4885NPY5R 4434/4885PRKDC 4677/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885NPY5R 4434/4885PRKDC 4677/4885

“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.