SCHEMBL2372390

SCHEMBL2372390

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC2CCCC2OCc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.64
ADORA2A P29274 5/20 0.64
AHCY P23526 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
DNPH1 O43598 1/20 0.57
PRKAB2 O43741 1/20 0.57
TRPM2 O94759 1/20 0.57
LDHA P00338 1/20 0.57
ADRB2 P07550 1/20 0.57
FBP1 P09467 1/20 0.57
SRC P12931 1/20 0.57
P2RY2 P41231 1/20 0.57
P2RY1 P47900 1/20 0.57
PRKAG1 P54619 1/20 0.57
PRKAA2 P54646 1/20 0.57
PDE4D Q08499 1/20 0.57
KCNH2 Q12809 1/20 0.57
PRKAA1 Q13131 1/20 0.57
PDE3A Q14432 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.57

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
SCHEMBL2373115 0.98 ADORA2A (0.64) ADORA1ADORA2AAHCYSMN1; SMN2DNPH1
SCHEMBL8607675 0.86 ADORA1 (0.64) ADORA1ADORA2AAHCYSMN1; SMN2DNPH1
SCHEMBL8606022 0.86 ADORA1 (0.64) ADORA1ADORA2AAHCYSMN1; SMN2DNPH1
SCHEMBL622588 0.85 ADORA1 (0.69) ADORA1ADORA2AAHCYSMN1; SMN2DNPH1
SCHEMBL123718 0.85 ADORA1 (0.61) ADORA1ADORA2AAHCYSMN1; SMN2DNPH1
SCHEMBL7459994 0.85 ADORA1 (0.61) ADORA1ADORA2AAHCYSMN1; SMN2DNPH1
SCHEMBL8606410 0.85 ADORA1 (0.64) ADORA1ADORA2AAHCYSMN1; SMN2DNPH1
SCHEMBL5272719 0.85 ADORA1 (0.68) ADORA1ADORA2AAHCYSMN1; SMN2DNPH1
SCHEMBL8606939 0.85 ADORA1 (0.64) ADORA1ADORA2AAHCYSMN1; SMN2DNPH1
SCHEMBL120551 0.81 ADORA3 (0.69) ADORA1ADORA2AAHCYSMN1; SMN2DNPH1

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-8501708-B2 Adenosine compounds and their use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2013-08-06 US disclosed
EP-2552932-A1 ADENOSINE COMPOUNDS AND THEIR USE THEREOF Inotek Pharmaceuticals Corporation (US) 2013-02-06 EP disclosed
US-20110245194-A1 ADENOSINE COMPOUNDS AND THEIR USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2011-10-06 US disclosed
WO-2011119919-A1 ADENOSINE COMPOUNDS AND THEIR USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2011-09-29 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-20110245194-A1 ADENOSINE COMPOUNDS AND THEIR USE THEREOF ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885AHCY 89/4885

“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.