SCHEMBL20198913

SCHEMBL20198913

c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4oc4ccccc34)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.32
PLA2G2A P14555 3/20 0.31
PLA2G4A P47712 3/20 0.31
ALOX5 P09917 1/20 0.30
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 2/20 0.30
CYP3A4 P08684 2/20 0.30
KMT2A Q03164 2/20 0.30
DDR2 Q16832 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
ABCB1 P08183 1/20 0.30
CALM1 P0DP23 1/20 0.30
AR P10275 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL20198924 0.99 PDK2 (0.32) PDK2PLA2G2APLA2G4AALOX5KDM4E
SCHEMBL20174762 0.98 PDK2 (0.32) PDK2PLA2G2APLA2G4AALOX5KDM4E
SCHEMBL20174766 0.98 PDK2 (0.32) PDK2PLA2G2APLA2G4AALOX5KDM4E
SCHEMBL20174751 0.98 PDK2 (0.32) PDK2PLA2G2APLA2G4AALOX5KDM4E
SCHEMBL20174752 0.98 PDK2 (0.32) PDK2PLA2G2APLA2G4AALOX5KDM4E
SCHEMBL20198946 0.97 PDK2 (0.31) PDK2PLA2G2APLA2G4AALOX5
SCHEMBL20174764 0.96 PDK2 (0.33) PDK2PLA2G2APLA2G4A
SCHEMBL20174804 0.96 PDK2 (0.35) PDK2PLA2G2APLA2G4A
SCHEMBL20174811 0.95 PDK2 (0.34) PDK2PLA2G2APLA2G4A
SCHEMBL20198938 0.95 PDK2 (0.30) PDK2

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-10781366-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-09-22 US disclosed
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 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-10781366-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG PDK2 651/4885PLA2G2A 4788/4885PLA2G4A 4802/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885PLA2G2A 4788/4885PLA2G4A 4802/4885

“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.