SCHEMBL1356191

SCHEMBL1356191

Cc1ccc(/N=C/N(C)C)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.47
ADRA2B P18089 3/20 0.47
ADRA2C P18825 3/20 0.47
PLAU P00749 1/20 0.47
KDM4E B2RXH2 4/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 6/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.40
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38

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
SCHEMBL1356192 1.00 ADRA2A (0.47) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL1354605 0.79 ALDH1A1 (0.39) KDM4EMAPTHPGDKMT2AMEN1
SCHEMBL1613033 0.79 ADRA2A (0.46) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL5930843 0.79 KMT2A (0.37) KDM4EMAPTHPGDKMT2AMEN1
SCHEMBL1356188 0.79 ADRA2A (0.46) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL13891589 0.79 ALDH1A1 (0.33) KDM4EMAPTHPGDKMT2AMEN1
SCHEMBL12998317 0.79 ADRA2A (0.46) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL1355451 0.79 ADRA2A (0.46) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL5930842 0.79 KMT2A (0.37) KDM4EMAPTHPGDKMT2AMEN1
SCHEMBL1354603 0.79 ALDH1A1 (0.39) KDM4EMAPTHPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US disclosed
EP-2391625-B1 New adenosine receptor ligands and uses thereof DOMAIN THERAPEUTICS (FR) 2013-05-01 EP disclosed
EP-2391625-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF Domain Therapeutics (FR) 2011-12-07 EP disclosed
US-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2011-11-24 US disclosed
WO-2010084425-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2010-07-29 WO disclosed
EP-2210891-A1 New adenosine receptor ligands and uses thereof Domain Therapeutics (FR) 2010-07-28 EP 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-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF ADORA2A, ADORA1, ADORA2B ADRA2A 13/4885ADRA2B 23/4885ADRA2C 15/4885

“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.