SCHEMBL1389703

SCHEMBL1389703

O=C(OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](OC(=O)c2ccccc2)[C@@H]1O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 1/20 0.63
ADORA3 P0DMS8 8/20 0.61
TP53 P04637 1/20 0.61
SLC29A1 Q99808 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NT5E P21589 1/20 0.60
P2RX3 P56373 1/20 0.59
P2RX2 Q9UBL9 1/20 0.59
TSHR P16473 1/20 0.55
DOT1L Q8TEK3 1/20 0.54
DNMT1 P26358 1/20 0.54
DNMT3B Q9UBC3 1/20 0.54

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
SCHEMBL1389413 0.94 ADORA3 (0.64) DNPH1ADORA3TP53SLC29A1TDP1
SCHEMBL918126 0.92 DNPH1 (0.58) DNPH1ADORA3TP53SLC29A1TDP1
SCHEMBL918592 0.92 DNPH1 (0.74) DNPH1ADORA3TP53SLC29A1TDP1
SCHEMBL7971570 0.87 ADORA3 (0.67) DNPH1ADORA3TP53SLC29A1TDP1
SCHEMBL918835 0.86 ADORA3 (0.59) DNPH1ADORA3TP53SLC29A1TDP1
SCHEMBL24201476 0.85 DNPH1 (0.65) DNPH1ADORA3TP53SLC29A1TDP1
SCHEMBL7975005 0.85 TYMP (0.55) DNPH1ADORA3TP53SLC29A1TDP1
SCHEMBL10689750 0.84 ADORA2A (0.59) ADORA3P2RX3P2RX2
SCHEMBL6910225 0.82 SLC29A1 (0.59) DNPH1ADORA3TP53SLC29A1TDP1
SCHEMBL22983997 0.82 P2RX3 (0.59) DNPH1P2RX3P2RX2

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 DNPH1 1793/4885ADORA3 71/4885TP53 425/4885

“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.