SCHEMBL10060179

SCHEMBL10060179

Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)CC1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.64
ADORA2A P29274 4/20 0.64
ADORA1 P30542 3/20 0.64
PDE2A O00408 3/20 0.64
PDE4D Q08499 2/20 0.64
PDE3A Q14432 2/20 0.64
ADRA1A P35348 1/20 0.64
NT5E P21589 3/20 0.62
PNP P00491 1/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
CD99 P14209 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA9 Q16790 1/20 0.49
ADORA2B P29275 1/20 0.48

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
SCHEMBL6294565 1.00 ADORA3 (0.64) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL13770329 0.90 NT5E (0.61) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL20347280 0.89 NT5E (0.60) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL8620311 0.89 AHCY (0.54) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL13873163 0.89 AHCY (0.54) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL13713932 0.89 AHCY (0.54) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL8620317 0.89 AHCY (0.54) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL13890093 0.89 AHCY (0.54) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL3436979 0.88 PDE4D (0.66) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL19959557 0.88 PDE4D (0.66) ADORA3ADORA2AADORA1PDE2APDE4D

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-20120010397-A1 Preparation of 2-chloro-9-(2'-deoxy-2'-fluoro-Beta-D-arabinofuranosyl)-adenine SCINOPHARM TAIWAN LTD. 2012-01-12 US disclosed
US-20100249055-A1 CLOFARABINE PHOSPHOLIPID DERIVATIVES HEIDELBERG PHARMA AG (DE) 2010-09-30 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 (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-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
US-20100249055-A1 CLOFARABINE PHOSPHOLIPID DERIVATIVES PHOSPHO1, ABHD16A, SGMS2 ADORA3 2405/4885ADORA2A 995/4885ADORA1 2549/4885

“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.