SCHEMBL23944928

SCHEMBL23944928

COc1cc2cccnc2cc1-c1c(N)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.55
PDGFRA P16234 1/20 0.55
CASP6 P55212 2/20 0.50
HSP90AA1 P07900 4/20 0.42
HSP90AB1 P08238 3/20 0.42
G6PD P11413 1/20 0.41
DOT1L Q8TEK3 3/20 0.40
TLR8 Q9NR97 1/20 0.40
PDE10A Q9Y233 1/20 0.38
NR4A2 P43354 2/20 0.38
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL23944919 0.95 PDGFRB (0.55) PDGFRBPDGFRACASP6HSP90AA1HSP90AB1
SCHEMBL23944613 0.81 PDGFRB (0.52) PDGFRBPDGFRACASP6HSP90AA1HSP90AB1
SCHEMBL23944686 0.78 HSP90AA1 (0.42) HSP90AA1HSP90AB1CYP3A4CYP2C9CYP2C19
SCHEMBL23944608 0.78 HSP90AA1 (0.42) HSP90AA1HSP90AB1CYP3A4CYP2C9CYP2C19
SCHEMBL16346602 0.76 PDGFRB (0.74) PDGFRBPDGFRACASP6DOT1LTLR8
SCHEMBL23944311 0.76 PDGFRB (0.52) PDGFRBPDGFRACASP6HSP90AA1HSP90AB1
SCHEMBL23944699 0.75 BTK (0.46) HSP90AA1HSP90AB1TLR8KDM4EALDH1A1
SCHEMBL23944899 0.75 TLR8 (0.54) HSP90AA1HSP90AB1TLR8PDE10AKDM4E
SCHEMBL25466417 0.73 NPC1 (0.42) HSP90AA1G6PDPDE10ANR4A2KDM4E
SCHEMBL15876747 0.73 PDGFRB (0.74) PDGFRBPDGFRACASP6DOT1LNR4A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402928-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2022-12-22 US disclosed
WO-2021210910-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-10-21 WO 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 (1 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-20220402928-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CCNL2, CRY1, CRY2 PDGFRB 2798/4885PDGFRA 2866/4885CASP6 3389/4885

“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.