SCHEMBL21736562

SCHEMBL21736562

CC1(C)c2ccccc2-c2nc(-c3ccc(-n4c5cc6ccccc6cc5c5cc6ccccc6cc54)c(C#N)c3)c(-c3ccc4cccnc4c3)nc21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 2/20 0.34
BMPR1A P36894 2/20 0.34
ACVR1B P36896 2/20 0.34
ACVRL1 P37023 2/20 0.34
ACVR1 Q04771 2/20 0.34
PDE10A Q9Y233 2/20 0.33
AR P10275 1/20 0.32
ADORA2A P29274 1/20 0.32
KDM5B Q9UGL1 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
AKT1 P31749 1/20 0.30
TGFBR1 P36897 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 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
SCHEMBL20669757 0.85 KDM5B (0.32) ADORA2AKDM5B
SCHEMBL20669957 0.84 PIM1 (0.32)
SCHEMBL21736026 0.83 KDM5B (0.33) KDM5BAKT1
SCHEMBL21736094 0.81 KDM5B (0.31) KDM5B
SCHEMBL21736585 0.75 KDM4E (0.32) PDE10AKDM5BALDH1A1KDM4EHTT
SCHEMBL20669741 0.75 KDM4E (0.32) PDE10AKDM5BALDH1A1KDM4EHTT
SCHEMBL21474862 0.73 TUBB4A (0.32)
SCHEMBL20670149 0.72 TUBB4A (0.36) ALDH1A1KDM4ELMNAAKT1
SCHEMBL21736091 0.72 KDM4E (0.35) KDM4E
SCHEMBL21736108 0.71 KDM4E (0.33) KDM4E

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-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 US disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 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-11530225-B2 Compound and organic light-emitting diode comprising same CRY1, CRY2, TRPA1 BMPR1B 1476/4885BMPR1A 1406/4885ACVR1B 1318/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 BMPR1B 1476/4885BMPR1A 1406/4885ACVR1B 1318/4885

“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.