SCHEMBL4857301

SCHEMBL4857301

COc1cc(Cl)ccc1Cn1cccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.55
KAT7 O95251 6/20 0.47
KAT6A Q92794 6/20 0.47
KAT6B Q8WYB5 4/20 0.47
KAT5 Q92993 3/20 0.47
KAT8 Q9H7Z6 3/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 2/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4C Q9H3R0 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
BRD4 O60885 1/20 0.41
NLRP3 Q96P20 1/20 0.41

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
SCHEMBL29008820 0.84 KDM4E (0.52) PDE4BKAT7KAT6AKAT6BKAT5
SCHEMBL554165 0.81 MEN1 (0.49) PDE4BKAT7KAT6AKAT6BKAT5
SCHEMBL27956815 0.80 CYP3A4 (0.54) PDE4BKMT2AGAAHTTMAPT
SCHEMBL28853149 0.80 ADRB2 (0.54) PDE4BKAT7KAT6AKAT6BMEN1
SCHEMBL31172599 0.79 MAPT (0.50) PDE4BKAT7KAT6AKAT6BKAT5
SCHEMBL31172671 0.79 HTT (0.56) KAT7KAT6AKAT6BMEN1KMT2A
SCHEMBL31172762 0.79 HTT (0.56) KAT7KAT6AKAT6BMEN1KMT2A
SCHEMBL14610740 0.78 GAA (0.44) PDE4BGAAHTTTDP1MAPT
SCHEMBL3809851 0.78 TP53 (0.45) PDE4BGAAHTTMAPTBRD4
SCHEMBL31172710 0.78 MAPK1 (0.49) KAT7KAT6AKAT6BMEN1KMT2A

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-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 PDE4B 890/4885KAT7 637/4885KAT6A 861/4885

“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.