SCHEMBL10026396

SCHEMBL10026396

CC[C@H]1O[C@H](n2cnc3c(N)nc(Cl)nc32)C(C)[C@H]1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.61
ADORA2A P29274 4/20 0.58
ADORA1 P30542 3/20 0.58
PDE2A O00408 3/20 0.58
PDE4D Q08499 2/20 0.58
PDE3A Q14432 2/20 0.58
ADRA1A P35348 1/20 0.58
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA9 Q16790 1/20 0.54
ADORA2B P29275 2/20 0.53
PNP P00491 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NT5E P21589 3/20 0.51
CD99 P14209 1/20 0.49

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
SCHEMBL10026379 1.00 ADORA3 (0.61) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL10026381 0.91 ADORA3 (0.59) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL12139441 0.90 PDE2A (0.67) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL10026402 0.90 PDE2A (0.67) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL10026378 0.90 PDE2A (0.67) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL12139442 0.90 PDE2A (0.67) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL13046060 0.88 HINT1 (0.53) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL13084342 0.87 LMNA (0.47) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL13046064 0.87 DNMT1 (0.49) ADORA3ADORA2AADORA1ADORA2BLMNA
SCHEMBL13046058 0.86 NT5E (0.61) ADORA3ADORA2AADORA1ADORA2BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648188-B2 Preparation of 2-chloro-9-(2′-deoxy-2′-fluoro-β-D-arabinofuranosyl)-adenine SCINOPHARM TAIWAN, LTD. (TW) 2014-02-11 US disclosed
US-20120010397-A1 Preparation of 2-chloro-9-(2'-deoxy-2'-fluoro-Beta-D-arabinofuranosyl)-adenine SCINOPHARM TAIWAN LTD. 2012-01-12 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 (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-20120010397-A1 Preparation of 2-chloro-9-(2'-deoxy-2'-fluoro-Beta-D-arabinofuranosyl)-adenine HPRT1, TYMP, MTAP ADORA3 71/4885ADORA2A 55/4885ADORA1 60/4885

“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.