SCHEMBL17465397

SCHEMBL17465397

CC[C@H]1O[C@@H](c2csc3c(NC(=O)c4ccccc4)ncnc23)[C@H](F)[C@@H]1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ADORA3 P0DMS8 2/20 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
SCHEMBL17465432 0.93 BRD4 (0.35) SMN1; SMN2BRD4PDPK1PDE4APDE4B
SCHEMBL17465435 0.91 BRD4 (0.35) SMN1; SMN2BRD4PDPK1PDE4APDE4B
SCHEMBL17465401 0.86 BRD4 (0.35) BRD4PDPK1ALDH1A1NPC1RAB9A
SCHEMBL17479346 0.84 LGALS9 (0.38) BRD4PDPK1ADORA3ADORA2AADORA1
SCHEMBL17465396 0.84 LGALS9 (0.38) BRD4PDPK1ADORA3ADORA2AADORA1
SCHEMBL17465407 0.83 PDPK1 (0.35) BRD4PDPK1PRMT6NPC1RAB9A
SCHEMBL17465398 0.81 BRD4 (0.34) SMN1; SMN2MAPTBRD4PDPK1PDE4A
SCHEMBL17468596 0.80 PDE4A (0.35) SMN1; SMN2MAPTPDE4APDE4BPDE4C
SCHEMBL21837294 0.80 PRMT6 (0.33) SMN1; SMN2BRD4PDPK1PRMT6KDM4E
SCHEMBL17465436 0.79 PDPK1 (0.33) SMN1; SMN2MAPTBRD4PDPK1PDE4A

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
US-20180072755-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. 2018-03-15 — — US disclosed
US-9828388-B2 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. (US) 2017-11-28 — — US disclosed
US-20160024107-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. 2016-01-28 — — 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 (2 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-20160024107-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 SMN1; SMN2 1172/4885CYP1A2 1673/4885CYP3A4 1787/4885
US-20180072755-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 SMN1; SMN2 1172/4885CYP1A2 1673/4885CYP3A4 1787/4885

“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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