SCHEMBL8970348

SCHEMBL8970348

COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.63
▸ ADORA3 P0DMS8 3/20 0.63
▸ ADORA1 P30542 3/20 0.63
▸ PDE2A O00408 1/20 0.63
▸ ADRA1A P35348 1/20 0.63
▸ PDE4D Q08499 1/20 0.63
▸ PDE3A Q14432 1/20 0.63
▸ CYP2C19 P33261 1/20 0.59
▸ SLC29A1 Q99808 7/20 0.58
▸ ADORA2B P29275 2/20 0.58
▸ CD99 P14209 1/20 0.54
▸ PGK1 P00558 1/20 0.53
▸ PGK2 P07205 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ NT5E P21589 1/20 0.53
▸ HIF1A Q16665 1/20 0.53

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
SCHEMBL24233636 1.00 ADORA2A (0.63) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL8970329 1.00 ADORA2A (0.63) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL22430950 1.00 ADORA2A (0.63) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL24233631 1.00 ADORA2A (0.63) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL8970907 0.91 ADORA2A (0.62) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL8970895 0.91 ADORA2A (0.62) ADORA2AADORA3ADORA1PDE2AADRA1A
Nelarabine SCHEMBL9937290 0.90 CYP2C19 (0.71) ADORA2AADORA3ADORA1CYP2C19SLC29A1
Nelarabine SCHEMBL14031852 0.90 CYP2C19 (0.71) ADORA2AADORA3ADORA1CYP2C19SLC29A1
Nelarabine SCHEMBL18820 0.90 CYP2C19 (0.71) ADORA2AADORA3ADORA1CYP2C19SLC29A1
Nelarabine SCHEMBL20769831 0.90 CYP2C19 (0.71) ADORA2AADORA3ADORA1CYP2C19SLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417999-B1 Antiviral compounds WELLCOME FOUND (GB) 1996-03-13 — — EP claimed
US-5420115-A Method for the treatment of protoza infections with 21 -deoxy-21 -fluoropurine nucleosides BURROUGHS WELLCOME CO. (US) 1995-05-30 — — US claimed
EP-0417999-A1 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-03-20 — — EP claimed
US-20220033432-A1 ANTI-HEPATITIS B VIRUS AGENT DAIKIN INDUSTRIES, LTD. (JP) 2022-02-03 — — US disclosed
EP-3939655-A1 ANTI-HEPATITIS B VIRUS AGENT DAIKIN INDUSTRIES, LTD. (JP) 2022-01-19 — — EP disclosed
WO-2020184677-A1 ANTI-HEPATITIS B VIRUS AGENT ダイキン工業株式会社 2020-09-17 — — WO disclosed
EP-0417999-B1 Antiviral compounds WELLCOME FOUND (GB) 1996-03-13 — — EP disclosed
EP-0671410-A1 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1995-09-13 — — EP disclosed
US-5420115-A Method for the treatment of protoza infections with 21 -deoxy-21 -fluoropurine nucleosides BURROUGHS WELLCOME CO. (US) 1995-05-30 — — US disclosed
US-5420115-A Method for the treatment of protoza infections with 21 -deoxy-21 -fluoropurine nucleosides BURROUGHS WELLCOME CO. (US) 1995-05-30 — — US disclosed
US-5175274-A Treatment of HIV infections BURROUGHS WELLCOME CO. (US) 1992-12-29 — — US disclosed
EP-0285432-B1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1992-11-11 — — EP disclosed
EP-0417999-A1 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-03-20 — — EP disclosed
EP-0285432-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1988-10-05 — — 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-20220033432-A1 ANTI-HEPATITIS B VIRUS AGENT SLC10A1, HAVCR2, FABP1 ADORA2A 1834/4885ADORA3 1331/4885ADORA1 801/4885

“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.

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