SCHEMBL1356151

SCHEMBL1356151

CN(C)/C=N/c1ccc(C(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 8/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
NPC1 O15118 6/20 0.49
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
GFER P55789 2/20 0.39
CYP1A2 P05177 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 5/20 0.37
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1356153 1.00 ALDH1A1 (0.50) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL312501 0.88 ALDH1A1 (0.49) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL312502 0.88 ALDH1A1 (0.49) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL17214490 0.79 NOS3 (0.43) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL1354605 0.77 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL1354603 0.77 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL1356191 0.75 ADRA2A (0.47) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL1356192 0.75 ADRA2A (0.47) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL1356188 0.74 ADRA2A (0.46) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL12998317 0.74 ADRA2A (0.46) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1

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 ALDH1A1 637/4885KDM4E 4203/4885RAB9A 1899/4885

“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.