SCHEMBL4735737

SCHEMBL4735737

Cc1cc(-c2ccccn2)nc(Nc2cc(N)ccc2C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.52
BCR P11274 1/20 0.52
LCK P06239 1/20 0.50
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GFER P55789 1/20 0.40
RET P07949 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RIPK1 Q13546 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 3/20 0.40

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
SCHEMBL4893292 0.86 ABL1 (0.65) ABL1BCRLCKRETCAMKK2
SCHEMBL4735744 0.80 ABL1 (0.54) ABL1BCRLCKALDH1A1GAA
SCHEMBL14041713 0.78 ABL1 (0.75) ABL1BCRGAAKMT2AMEN1
SCHEMBL2616948 0.78 ABL1 (0.59) ABL1BCRLCKALDH1A1HTT
Hydrochloric Acid SCHEMBL5548680 0.76 ABL1 (0.58) ABL1BCRLCKALDH1A1HTT
SCHEMBL7601457 0.74 ABL1 (0.78) ABL1BCRLCKRETKMT2A
Pyridine SCHEMBL27895751 0.74 ABL1 (0.60) ABL1BCRLCKALDH1A1HTT
Hydrochloric Acid SCHEMBL5205211 0.73 ABL1 (0.76) ABL1BCRLCKRETKMT2A
SCHEMBL7477243 0.73 SYK (0.62) ABL1BCRLCKRETCAMKK2
SCHEMBL4733842 0.72 ABL1 (0.67) ABL1BCRLCKRETCAMKK2

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.