SCHEMBL12149658

SCHEMBL12149658

C=C(NC)c1ncn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2OC)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ PNP P00491 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ EIF4E P06730 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ TOP1 P11387 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ADORA3 P0DMS8 4/20 0.38
▸ ADORA2A P29274 2/20 0.35
▸ OGA O60502 1/20 0.35
▸ CD69 Q07108 1/20 0.34
▸ HSPA5 P11021 1/20 0.34
▸ HSPA8 P11142 1/20 0.34

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
SCHEMBL12149581 1.00 ADORA1 (0.49) ADORA1LMNAPNPSMN1; SMN2ALDH1A1
SCHEMBL12149577 0.91 ADORA1 (0.49) ADORA1LMNAPNPSMN1; SMN2ALDH1A1
SCHEMBL12149594 0.91 ADORA1 (0.49) ADORA1LMNAPNPSMN1; SMN2ALDH1A1
SCHEMBL13524858 0.87 LMNA (0.58) ADORA1LMNAPNPSMN1; SMN2ALDH1A1
SCHEMBL13524852 0.87 LMNA (0.58) ADORA1LMNAPNPSMN1; SMN2ALDH1A1
SCHEMBL23479943 0.84 LMNA (0.57) ADORA1LMNAPNPSMN1; SMN2ALDH1A1
SCHEMBL15031296 0.82 LMNA (0.74) ADORA1LMNAPNPSMN1; SMN2ALDH1A1
SCHEMBL12149574 0.80 LMNA (0.48) ADORA1LMNAPNPSMN1; SMN2ALDH1A1
SCHEMBL12149589 0.80 LMNA (0.48) ADORA1LMNAPNPSMN1; SMN2ALDH1A1
SCHEMBL12300167 0.80 LMNA (0.48) ADORA1LMNAPNPSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 — — US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 — — US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 — — US disclosed
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 — — US disclosed
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 — — US disclosed
US-20110071101-A1 Nucleoside Phosphonate Analogs BOOJAMRA CONSTANTINE G 2011-03-24 — — US disclosed
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 — — US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 — — 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 (4 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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP ADORA1 1306/4885LMNA 2918/4885PNP 3/4885
US-20110071101-A1 Nucleoside Phosphonate Analogs TYMP, PNP, NUDT1 ADORA1 232/4885LMNA 1265/4885PNP 2/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP ADORA1 1306/4885LMNA 2918/4885PNP 3/4885
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP ADORA1 1306/4885LMNA 2918/4885PNP 3/4885

“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.

Send feedback