SCHEMBL20174209

SCHEMBL20174209

c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4c-5oc5ccccc45)cc3)cc(-c3cccc4ccccc34)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.36
KMT2A Q03164 3/20 0.34
MAPK1 P28482 3/20 0.34
MEN1 O00255 2/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
ATR Q13535 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ATM Q13315 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL20174284 0.95 PDK2 (0.39) PDK2KMT2AMAPK1MEN1PLA2G2A
SCHEMBL20174219 0.93 ALDH1A1 (0.36) PDK2KMT2AMAPK1MEN1ENPP3
SCHEMBL20174199 0.93 PDK2 (0.36) PDK2KMT2AMAPK1MEN1ALDH1A1
SCHEMBL20174710 0.92 PDK2 (0.34) PDK2KMT2AMAPK1MEN1ENPP3
SCHEMBL20174271 0.91 CYP1A1 (0.37) PDK2KMT2AMAPK1ALDH1A1MAPT
SCHEMBL20174220 0.91 KMT2A (0.33) PDK2KMT2AMAPK1MEN1ENPP3
SCHEMBL20174202 0.89 PDK2 (0.36) PDK2KMT2AMAPK1MEN1ENPP3
SCHEMBL20174214 0.89 PDK2 (0.36) PDK2KMT2AMAPK1MEN1ENPP3
SCHEMBL20174215 0.89 PDK2 (0.36) PDK2KMT2AMAPK1MEN1ENPP3
SCHEMBL20174222 0.88 ALDH1A1 (0.35) PDK2KMT2AMAPK1MEN1ENPP3

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 651/4885KMT2A 1480/4885MAPK1 3742/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885KMT2A 1480/4885MAPK1 3742/4885

“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.