SCHEMBL20412928

SCHEMBL20412928

c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cnccc2n3-c2ccc(-c3cc(-n4c5ccccc5c5ccncc54)cc(-n4c5ccccc5c5ccncc54)c3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.35
CDK6 Q00534 1/20 0.35
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 1/20 0.33
NPY5R Q15761 2/20 0.32
KCNH2 Q12809 1/20 0.32
HDAC4 P56524 1/20 0.31
DYRK1A Q13627 1/20 0.31
RAC2 P15153 1/20 0.30
RAC3 P60763 1/20 0.30
CDC42 P60953 1/20 0.30
RAC1 P63000 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
SCHEMBL20412877 0.97 MAOA (0.36) CDK4CDK6MAOAMAOBACHE
SCHEMBL19270928 0.97 MAOA (0.36) CDK4CDK6MAOAMAOBACHE
SCHEMBL20412942 0.97 MAOA (0.36) CDK4CDK6MAOAMAOBACHE
SCHEMBL19270001 0.97 MAOA (0.36) CDK4CDK6MAOAMAOBACHE
SCHEMBL20412894 0.97 KDM4E (0.36) CDK4CDK6KDM4EATML3MBTL1
SCHEMBL20412918 0.95 MAOA (0.36) CDK4CDK6MAOAMAOBACHE
SCHEMBL20412950 0.95 MAOA (0.36) CDK4CDK6MAOAMAOBACHE
SCHEMBL19268798 0.93 KDM4E (0.40) CDK4CDK6MAOAMAOBACHE
SCHEMBL19270021 0.91 MEN1 (0.33) MAOAMAOBACHEKDM4EATM
SCHEMBL19269419 0.89 MAOA (0.33) CDK4CDK6MAOAMAOBACHE

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-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 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-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS MSN, DDT, NECTIN4 CDK4 246/4885CDK6 1820/4885MAOA 175/4885

“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.