SCHEMBL21992893

SCHEMBL21992893

Cn1cnc2c(=O)[nH]c(C3CCCCCCC3)nc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.49
ADORA2B P29275 6/20 0.49
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
ADORA3 P0DMS8 3/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.47
PMP22 Q01453 2/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADORA1 P30542 4/20 0.45
MEN1 O00255 1/20 0.43
GMNN O75496 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL25095261 1.00 ADORA2A (0.49) ADORA2AADORA2BDRD1DRD5ADORA3
SCHEMBL20624337 1.00 ADORA2A (0.49) ADORA2AADORA2BDRD1DRD5ADORA3
SCHEMBL21992894 1.00 ADORA2A (0.49) ADORA2AADORA2BDRD1DRD5ADORA3
SCHEMBL22435235 0.77 ADORA1 (0.50) ADORA2AADORA3LMNACYP1A2PMP22
8-Cyclopentyltheophylline SCHEMBL6742249 0.73 ADORA2A (0.66) ADORA2AADORA2BADORA3LMNACYP1A2
SCHEMBL9910656 0.72 XDH (0.42) ADORA3PMP22CYP3A4MAPK1KMT2A
SCHEMBL3427614 0.71 CDK1 (0.47) ADORA2ALMNAPMP22CYP3A4MAPK1
SCHEMBL18521149 0.71 CDK1 (0.40) ADORA2APMP22CYP3A4MAPK1ADORA1
9-Methylguanine SCHEMBL22884 0.71 XDH (0.58) MEN1TSHRKMT2A
SCHEMBL7449080 0.71 ADORA2A (0.39) ADORA2AADORA2BADORA3LMNACYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814407-B2 Multiple coupling and oxidation method ROCHE INNOVATION CENTER COPENHAGEN A/S (CH) 2023-11-14 US disclosed
US-20210179658-A1 ORTHOGONAL PROTECTING GROUPS FOR THE PREPARATION OF STEREODEFINED PHOSPHOROTHIOATE OLIGONUCLEOTIDES ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2021-06-17 US disclosed
US-20200148714-A1 MULTIPLE COUPLING & OXIDATION METHOD ROCHE INNOVATION CENTER COPENHAGEN A/S (CH) 2020-05-14 US 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 (3 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-20210179658-A1 ORTHOGONAL PROTECTING GROUPS FOR THE PREPARATION OF STEREODEFINED PHOSPHOROTHIOATE OLIGONUCLEOTIDES PCNA, RNGTT, POLL ADORA2A 1317/4885ADORA2B 1042/4885DRD1 1802/4885
US-11814407-B2 Multiple coupling and oxidation method RNGTT, PCNA, TYMP ADORA2A 1230/4885ADORA2B 1945/4885DRD1 2371/4885
US-20200148714-A1 MULTIPLE COUPLING & OXIDATION METHOD POLRMT, POLM, RNGTT ADORA2A 1245/4885ADORA2B 1934/4885DRD1 2379/4885

“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.