SCHEMBL744488

SCHEMBL744488

N#Cc1[c]c(C#N)c(C#N)c(C#N)c1C#N

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9116547 0.73 MEN1 (0.52) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL57168 0.73 ALDH1A1 (0.47) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL3530070 0.67 KDM4E (0.42) MEN1ALDH1A1MAPTKMT2A
SCHEMBL25311012 0.62 MEN1 (0.39) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL3522460 0.62
SCHEMBL9115923 0.62 MEN1 (0.46) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL15902224 0.58
SCHEMBL23522361 0.57 MEN1 (0.35) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL21018280 0.57 MEN1 (0.35) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL21896579 0.57 MAPK1 (0.38) MEN1ALDH1A1TP53CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111825660-A Compound, thermal activation delayed fluorescence material, organic electroluminescent device and application 北京鼎材科技有限公司 2020-10-27 CN claimed
CN-112103395-B Organic electroluminescent device and electronic apparatus 陕西莱特光电材料股份有限公司 2022-11-15 CN disclosed
CN-112103395-A Organic electroluminescent device and electronic apparatus 陕西莱特光电材料股份有限公司 2020-12-18 CN disclosed
CN-111825660-A Compound, thermal activation delayed fluorescence material, organic electroluminescent device and application 北京鼎材科技有限公司 2020-10-27 CN disclosed
CN-102438452-B Compounds and compositions comprising CDK inhibitors and methods for treating cancer UNIV GEORGIA STATE RES FOUND 2015-02-25 CN disclosed
US-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER SHANDONG UNIVERSITY (CN) 2012-05-17 US disclosed
CN-102438452-A Compounds and compositions comprising cdk inhibitors and methods for the treatment of cancer UNIV GEORGIA STATE RES FOUND 2012-05-02 CN disclosed
EP-2429292-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER Georgia State University Research Foundation, Inc. (US) 2012-03-21 EP disclosed
WO-2010129858-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-11-11 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-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER CDK6, CDK5, CDK4 MEN1 2944/4885ALDH1A1 2643/4885TP53 53/4885

“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.