SCHEMBL1354686

SCHEMBL1354686

CCOC(=O)c1ccc2c(-c3c(C)nc4ccc(C#N)cn34)nn(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
GRM5 P41594 3/20 0.41
ELANE P08246 2/20 0.41
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SLC34A1 Q06495 2/20 0.36
HSD17B10 Q99714 1/20 0.36
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35

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
SCHEMBL1354691 0.84 ADORA2A (0.64) ADORA2AGRM5ELANEKDM4EMAPT
SCHEMBL1355437 0.72 MAPK1 (0.43) GRM5ELANEKDM4EMAPK1MAPT
SCHEMBL1355334 0.70 ADORA2A (0.65) ADORA2A
SCHEMBL1354668 0.70 ADORA2A (0.67) ADORA2AGRM5ELANEKDM4EALDH1A1
SCHEMBL23099653 0.69 KDM4E (0.49) GRM5ELANEKDM4EMAPK1MAPT
SCHEMBL1355476 0.66 ADORA2A (0.75) ADORA2A
SCHEMBL1355355 0.66 ADORA2A (0.62) ADORA2A
SCHEMBL1355364 0.66 ADORA2A (0.76) ADORA2AHPGD
SCHEMBL1355435 0.66 ADORA2A (0.76) ADORA2AHPGD
SCHEMBL12133219 0.66 ADORA2A (0.68) ADORA2A

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-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
US-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2011-11-24 US 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 ADORA2A 1/4885GRM5 87/4885ELANE 4029/4885

“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.