SCHEMBL4735744

SCHEMBL4735744

Cc1cc(-c2ccncc2)nc(Nc2cc(N)ccc2C)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.54
BCR P11274 3/20 0.54
LCK P06239 1/20 0.44
SRC P12931 1/20 0.42
ALDH1A1 P00352 4/20 0.41
PDGFRA P16234 1/20 0.41
KDR P35968 1/20 0.41
PRKCA P17252 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GFER P55789 1/20 0.39
CYP3A4 P08684 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
ROCK2 O75116 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL14041713 0.85 ABL1 (0.75) ABL1BCRSRCPDGFRAKDR
SCHEMBL2580846 0.84 ABL1 (0.74) ABL1BCRLCKSRCPDGFRA
SCHEMBL4735737 0.80 ABL1 (0.52) ABL1BCRLCKALDH1A1PRKCA
SCHEMBL14041907 0.76 ABL1 (0.72) ABL1BCRLCKSRCPDGFRA
SCHEMBL19575465 0.74 HTT (0.46) ABL1BCRLCKALDH1A1NPC1
SCHEMBL7601457 0.74 ABL1 (0.78) ABL1BCRLCKSRCPDGFRA
SCHEMBL24011026 0.74 RAD52 (0.55) ABL1BCRLCKALDH1A1MAPT
Hydrochloric Acid SCHEMBL5205211 0.73 ABL1 (0.76) ABL1BCRLCKSRCPDGFRA
SCHEMBL4735694 0.72 ABL1 (0.71) ABL1BCRLCKSRCPDGFRA
SCHEMBL2575958 0.72 ABL1 (0.78) ABL1BCRLCKSRCPDGFRA

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 4 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-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-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.