SCHEMBL4735694

SCHEMBL4735694

Cc1ccc(N)cc1Nc1nccc(-c2cnccc2C)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.71
BCR P11274 7/20 0.71
LCK P06239 1/20 0.55
RET P07949 2/20 0.53
PRKCA P17252 3/20 0.51
PDGFRB P09619 4/20 0.47
PDGFRA P16234 4/20 0.47
SRC P12931 3/20 0.46
SYK P43405 1/20 0.46
EGFR P00533 5/20 0.44
JAK3 P52333 1/20 0.44
BTK Q06187 1/20 0.44
ITK Q08881 1/20 0.44
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
BRD4 O60885 1/20 0.44
CDK9 P50750 1/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44

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
SCHEMBL14041918 0.89 ABL1 (0.63) ABL1BCRLCKRETPRKCA
SCHEMBL14041543 0.89 ABL1 (0.69) ABL1BCRLCKRETPRKCA
SCHEMBL4264299 0.85 ABL1 (0.71) ABL1BCRLCKRETPRKCA
SCHEMBL3213027 0.85 ABL1 (0.64) ABL1BCRLCKRETPRKCA
SCHEMBL2580846 0.85 ABL1 (0.74) ABL1BCRLCKRETPRKCA
SCHEMBL2392 0.83 ABL1 (1.00) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL29366999 0.83 ABL1 (1.00) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL29555505 0.83 ABL1 (1.00) ABL1BCRPRKCAPDGFRBPDGFRA
SCHEMBL2575958 0.82 ABL1 (0.78) ABL1BCRLCKPRKCAPDGFRB
Hydrochloric Acid SCHEMBL2419016 0.82 ABL1 (0.98) ABL1BCRPRKCAPDGFRBPDGFRA

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 510/4885LCK 1807/4885

“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.