SCHEMBL21453957

SCHEMBL21453957

c1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2ccc(-n4c5ccccc5c5ccncc54)nc2)c2ccccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.37
CDK6 Q00534 3/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DYRK1A Q13627 2/20 0.32
EGLN1 Q9GZT9 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
GSK3B P49841 1/20 0.30
KCNH2 Q12809 1/20 0.30
MAPT P10636 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
SCHEMBL21453958 0.94 MAOA (0.36) CDK4CDK6ALDH1A1CYP1A2CYP3A4
SCHEMBL21453364 0.93 CDK4 (0.38) CDK4CDK6ALDH1A1CYP1A2CYP3A4
SCHEMBL21453367 0.86 MAOA (0.36) CDK4CDK6ALDH1A1CYP1A2CYP3A4
SCHEMBL21453689 0.85 CDK4 (0.35) CDK4CDK6KDM4EATML3MBTL1
SCHEMBL21453537 0.85 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21453956 0.82 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21453952 0.78 CYP1A2 (0.42) CDK4CDK6ALDH1A1CYP1A2CYP3A4
SCHEMBL21453693 0.78 MAOA (0.36) CDK4CDK6CYP2D6KDM4EATM
SCHEMBL21453366 0.77 KDM4E (0.33) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22183838 0.77 KDM4E (0.33) CDK4CDK6ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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 (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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 CDK4 2028/4885CDK6 2708/4885ALDH1A1 569/4885

“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.