SCHEMBL21136856

SCHEMBL21136856

Cl[C@H]1C(c2csc3c(Oc4ccccc4)ncnc23)O[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.38
▸ PDE2A O00408 1/20 0.36
▸ PTPN1 P18031 8/20 0.34
▸ CDC25B P30305 7/20 0.34
▸ GJB2 P29033 2/20 0.34
▸ BCHE P06276 1/20 0.34
▸ PTPN2 P17706 3/20 0.33
▸ PTPN6 P29350 3/20 0.33
▸ PTPN11 Q06124 3/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ TACR2 P21452 2/20 0.33
▸ NT5E P21589 1/20 0.33

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
SCHEMBL22319414 1.00 HTR1A (0.38) HTR1APDE2APTPN1CDC25BGJB2
SCHEMBL29788383 1.00 HTR1A (0.38) HTR1APDE2APTPN1CDC25BGJB2
SCHEMBL17453458 0.92 HTR1A (0.41) HTR1APDE2APTPN1CDC25BBCHE
SCHEMBL17479377 0.92 HTR1A (0.41) HTR1APDE2APTPN1CDC25BBCHE
SCHEMBL29788347 0.89 PDE2A (0.41) HTR1APDE2APTPN1CDC25BGJB2
SCHEMBL17453485 0.89 PDE2A (0.41) HTR1APDE2APTPN1CDC25BGJB2
SCHEMBL17468598 0.84 LTA4H (0.33) —
SCHEMBL17465408 0.80 HPGD (0.30) —
SCHEMBL17453455 0.79 PTPN1 (0.33) HTR1APDE2APTPN1CDC25BPTPN2
SCHEMBL21137107 0.78 PDE2A (0.45) HTR1APDE2APTPN1CDC25BGJB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4023650-A1 4'-SUBSTITUTED-FURO[3,2-D]PYRIMIDINE AND -PYRROLO[3,2- D]PYRIMIDINE DERIVATIVES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2022-07-06 — — EP disclosed
EP-3174870-B1 THIENO [3,2-D]PYRIMIDINES, FURO [3,2,D]PYRIMIDINES AND PYRROLO [3,2-D]PYRIMIDINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2020-04-15 — — EP disclosed
US-20190194223-A1 THIENO[3,2-d]PYRIMIDINE, FURO[3,2-d]PYRIMIDINE, AND PYRROLO[3,2-D]PYRIMIDINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES, INC. 2019-06-27 — — 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-20190194223-A1 THIENO[3,2-d]PYRIMIDINE, FURO[3,2-d]PYRIMIDINE, AND PYRROLO[3,2-D]PYRIMIDINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS DPYD, TYMS, TYMP HTR1A 1743/4885PDE2A 2339/4885PTPN1 2526/4885

“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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