SCHEMBL6045649

SCHEMBL6045649

CCC(CCn1cnc2c(N)ncnc21)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.62
ADORA1 P30542 4/20 0.62
ADORA2B P29275 1/20 0.62
ALDH1A1 P00352 1/20 0.61
PI4KA P42356 2/20 0.57
PI4K2B Q8TCG2 2/20 0.57
PI4K2A Q9BTU6 2/20 0.57
PI4KB Q9UBF8 2/20 0.57
ADCY5 O95622 4/20 0.54
EGFR P00533 1/20 0.52
AHCY P23526 1/20 0.50
FGFR1 P11362 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50

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
SCHEMBL27432827 1.00 ADORA2A (0.62) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL6045646 0.91 ADORA2A (0.62) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL6045563 0.90 ADORA2A (0.61) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL6045682 0.88 ALDH1A1 (0.70) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL982442 0.84 ALDH1A1 (0.76) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL8628392 0.84 ALDH1A1 (0.64) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL12922453 0.83 ADORA2A (0.67) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL12922451 0.81 ADORA2A (0.68) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL6045664 0.81 ADORA2A (0.61) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL11986907 0.81 ADORA2A (0.59) ADORA2AADORA1ADORA2BALDH1A1PI4KA

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-20060252774-A1 Regulation of type 5 adenylyl cyclase for treatment of neurodegenerative and cardiac diseases NEW JERSEY, UNIVERSITY OF MEDICINE AND DENTISTRY OF 2006-11-09 US disclosed
US-6887880-B2 Adenine based inhibitors of adenylyl cyclase, pharmaceutical compositions, and method of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-05-03 US disclosed
US-20020068745-A1 Adenine based inhibitors of adenylyl cyclase, pharmaceutical compositions, and method of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2002-06-06 US disclosed
WO-2002040481-A2 ADENINE BASED INHIBITORS OF ADENYLYL CYCLASE, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 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 (2 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-20020068745-A1 Adenine based inhibitors of adenylyl cyclase, pharmaceutical compositions, and method of use thereof CD38, ADCY1, ADCY2 ADORA2A 38/4885ADORA1 27/4885ADORA2B 52/4885
US-20060252774-A1 Regulation of type 5 adenylyl cyclase for treatment of neurodegenerative and cardiac diseases ADCY5, ADCY6, ADCY2 ADORA2A 303/4885ADORA1 398/4885ADORA2B 691/4885

“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.