SCHEMBL6045700

SCHEMBL6045700

Nc1ncnc2c1ncn2CCCCC(=O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADCY5 O95622 7/20 1.00
ADORA2A P29274 5/20 0.63
HDAC1 Q13547 2/20 0.61
HDAC6 Q9UBN7 1/20 0.61
ADORA1 P30542 2/20 0.58
ADORA2B P29275 1/20 0.55
ADCY1 Q08828 1/20 0.53
ALDH1A1 P00352 1/20 0.51
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
SCHEMBL6045750 0.99 ADCY5 (1.00) ADCY5ADORA2AHDAC1HDAC6ADORA1
SCHEMBL6045760 0.99 ADCY5 (1.00) ADCY5ADORA2AHDAC1HDAC6ADORA1
SCHEMBL6045688 0.96 ADCY5 (1.00) ADCY5ADORA2AHDAC1HDAC6ADORA1
SCHEMBL6045601 0.91 ADCY5 (0.85) ADCY5ADORA2AHDAC1HDAC6ADORA1
SCHEMBL6045746 0.85 ADCY5 (0.74) ADCY5ADORA2AADORA1ADORA2BADCY1
SCHEMBL6045556 0.84 ADCY5 (0.75) ADCY5ADORA2AADORA1ADORA2BADCY1
SCHEMBL6045717 0.84 ADCY5 (0.75) ADCY5ADORA2AADORA1ADORA2BADCY1
SCHEMBL6045668 0.84 ADCY5 (0.72) ADCY5ADORA2AADORA1ADORA2BADCY1
SCHEMBL28397440 0.82 HDAC1 (0.73) ADCY5HDAC1HDAC6
SCHEMBL17297723 0.81 ADCY5 (0.74) ADCY5ADORA2AADORA1ADORA2BADCY1

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 ADCY5 4/4885ADORA2A 38/4885HDAC1 2886/4885
US-20060252774-A1 Regulation of type 5 adenylyl cyclase for treatment of neurodegenerative and cardiac diseases ADCY5, ADCY6, ADCY2 ADCY5 1/4885ADORA2A 303/4885HDAC1 1285/4885

“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.