SCHEMBL1389413

SCHEMBL1389413

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

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.64
TP53 P04637 1/20 0.63
SLC29A1 Q99808 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
DNPH1 O43598 1/20 0.63
NT5E P21589 1/20 0.60
P2RX3 P56373 1/20 0.59
P2RX2 Q9UBL9 1/20 0.59
TSHR P16473 1/20 0.57
DOT1L Q8TEK3 1/20 0.56
DNMT1 P26358 1/20 0.56
DNMT3B Q9UBC3 1/20 0.56

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
SCHEMBL1389703 0.94 DNPH1 (0.63) ADORA3TP53SLC29A1TDP1DNPH1
SCHEMBL918835 0.92 ADORA3 (0.59) ADORA3TP53SLC29A1TDP1DNPH1
SCHEMBL918592 0.92 DNPH1 (0.74) ADORA3TP53SLC29A1TDP1DNPH1
SCHEMBL918126 0.86 DNPH1 (0.58) ADORA3TP53SLC29A1TDP1DNPH1
SCHEMBL24201476 0.85 DNPH1 (0.65) ADORA3TP53SLC29A1TDP1DNPH1
SCHEMBL7974919 0.85 ADORA3 (0.56) ADORA3TP53SLC29A1TDP1DNPH1
SCHEMBL7971570 0.85 ADORA3 (0.67) ADORA3TP53SLC29A1TDP1DNPH1
SCHEMBL5794949 0.85 ENPP1 (0.71) P2RX3P2RX2
SCHEMBL5983100 0.85 ENPP1 (0.71) P2RX3P2RX2
SCHEMBL17612311 0.85 LMNA (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404926-B1 Preparation of 2-chloro-9-(2'-deoxy-2'-fluoro-beta-D-arabinofuranosyl)-adenine SCINOPHARM TAIWAN LTD (TW) 2014-08-20 EP disclosed
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
EP-2404926-A1 Preparation of 2-chloro-9-(2'-deoxy-2'-fluoro-beta-D-arabinofuranosyl)-adenine ScinoPharm Taiwan, Ltd. (TW) 2012-01-11 EP 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 71/4885TP53 425/4885SLC29A1 25/4885

“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.