SCHEMBL4121669

SCHEMBL4121669

CN(C)c1cccnc1-c1cccc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
RUNX1 Q01196 1/20 0.36
KCNN4 O15554 1/20 0.35
NSD2 O96028 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GAA P10253 2/20 0.35
TDP2 O95551 1/20 0.35
ABL1 P00519 1/20 0.35
PLCG1 P19174 1/20 0.35
CES1 P23141 1/20 0.35
PAX8 Q06710 1/20 0.35
RIN1 Q13671 1/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
GPBAR1 Q8TDU6 2/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL4121667 0.77 KDM4E (0.47) CCNE2CCNE1CDK2TDP1GPBAR1
SCHEMBL2582293 0.76 RORC (0.40) RUNX1MEN1KMT2AGPBAR1RORC
SCHEMBL4115207 0.74 HTR1A (0.42) TDP1HTR1ASLC6A2SLC6A4L3MBTL1
SCHEMBL7877997 0.73 TDP1 (0.44) CCNE2CCNE1CDK2NSD2TDP1
SCHEMBL7690206 0.72 MAPT (0.46) KCNN4NSD2TDP1GAACES1
SCHEMBL3292813 0.71 BCAT1 (0.50) CCNE2CCNE1CDK2NSD2TDP1
SCHEMBL27863515 0.70 NAPRT (0.42) RUNX1NSD2GAAMAPTALDH1A1
SCHEMBL28092741 0.70 PTPN11 (0.46) CCNE2CCNE1CDK2ABL1PTPN11
SCHEMBL6270187 0.69 CCNE2 (0.41) CCNE2CCNE1CDK2CES1HSD11B1
SCHEMBL27658146 0.68 CKS1B (0.46) RUNX1GAAMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111989-A1 ORGANIC LIGHT EMITTING MATERIALS WITH ANIONIC LIGAND THOMPSON MARK E 2009-04-30 US disclosed
US-7482451-B2 Organic light emitting materials with anionic ligand THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-01-27 US disclosed
EP-1539773-A2 ORGANIC LIGHT EMITTING MATERIALS WITH ANIONIC LIGAND UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-06-15 EP disclosed
US-20040102632-A1 Organic light emitting materials with anionic ligand UNIVERSITY OF SOUTHERN CALIFORNIA, THE 2004-05-27 US disclosed
WO-2004017043-A2 ORGANIC LIGHT EMITTING MATERIALS WITH ANIONIC LIGAND THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2004-02-26 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 (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-20090111989-A1 ORGANIC LIGHT EMITTING MATERIALS WITH ANIONIC LIGAND MAP1LC3C, ORC3, EML4 CCNE2 559/4885CCNE1 2176/4885CDK2 978/4885
US-20040102632-A1 Organic light emitting materials with anionic ligand MAP1LC3C, ORC3, EML4 CCNE2 559/4885CCNE1 2176/4885CDK2 978/4885

“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.