SCHEMBL4786484

SCHEMBL4786484

Cc1ccc(-c2ccnc(Nc3cc(N)ccc3C)n2)cn1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.77
BCR P11274 10/20 0.77
PRKCA P17252 3/20 0.56
LCK P06239 1/20 0.54
CAMKK2 Q96RR4 1/20 0.53
PDGFRA P16234 6/20 0.52
PDGFRB P09619 5/20 0.52
KIT P10721 2/20 0.50
EGFR P00533 5/20 0.49
SRC P12931 1/20 0.49
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
JAK3 P52333 1/20 0.48
BTK Q06187 1/20 0.48
ITK Q08881 1/20 0.48
RET P07949 1/20 0.47
PIK3CG P48736 1/20 0.46

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
SCHEMBL4262471 0.88 ABL1 (0.70) ABL1BCRPRKCALCKCAMKK2
SCHEMBL29555505 0.87 ABL1 (1.00) ABL1BCRPRKCAPDGFRAPDGFRB
SCHEMBL29366999 0.87 ABL1 (1.00) ABL1BCRPRKCAPDGFRAPDGFRB
SCHEMBL2392 0.87 ABL1 (1.00) ABL1BCRPRKCAPDGFRAPDGFRB
Ammonia Solution, Strong SCHEMBL4749564 0.86 ABL1 (0.98) ABL1BCRPRKCAPDGFRAPDGFRB
Hydrochloric Acid SCHEMBL2419016 0.86 ABL1 (0.98) ABL1BCRPRKCAPDGFRAPDGFRB
SCHEMBL11916392 0.85 ABL1 (0.66) ABL1BCRPRKCALCKCAMKK2
SCHEMBL2575958 0.84 ABL1 (0.78) ABL1BCRPRKCALCKCAMKK2
SCHEMBL2580846 0.84 ABL1 (0.74) ABL1BCRPRKCALCKCAMKK2
SCHEMBL7601457 0.84 ABL1 (0.78) ABL1BCRPRKCALCKCAMKK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466154-B2 Methods and compositions related to wrapping of dehydrons THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-06-18 US disclosed
US-8466154-B2 Methods and compositions related to wrapping of dehydrons THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-06-18 US disclosed
US-8466154-B2 Methods and compositions related to wrapping of dehydrons THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-06-18 US disclosed
US-20130131076-A1 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
US-20130131076-A1 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
US-20130131076-A1 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
WO-2008070350-A9 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS UNIV TEXAS (US) 2008-10-23 WO disclosed
WO-2008070350-A9 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS UNIV TEXAS (US) 2008-10-23 WO disclosed
WO-2008070350-A2 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-06-12 WO disclosed
WO-2008070350-A2 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-06-12 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-20130131076-A1 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS DKK1, HPN, OSBP2 ABL1 3511/4885BCR 510/4885PRKCA 1846/4885

“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.