SCHEMBL17465429

SCHEMBL17465429

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CSF1R P07333 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ HCAR3 P49019 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ NT5C2 P49902 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL17465436 0.94 PDPK1 (0.33) PDPK1BRD4ACACBHCAR3ADORA3
SCHEMBL17465425 0.89 BRD4 (0.34) PDPK1BRD4CSF1RACACBHCAR3
SCHEMBL17465405 0.87 PDPK1 (0.32) PDPK1BRD4ACACBHCAR3ADORA3
SCHEMBL17465406 0.86 PDPK1 (0.33) PDPK1BRD4CSF1RHCAR3ADORA3
SCHEMBL17465419 0.86 PDPK1 (0.33) PDPK1BRD4CSF1RHCAR3ADORA3
SCHEMBL17453456 0.86 RPS6KB1 (0.31) PDPK1AURKARPS6KB1
SCHEMBL17465398 0.85 BRD4 (0.34) PDPK1BRD4HCAR3ADORA3ADORA2A
SCHEMBL19644596 0.83 BRD4 (0.35) PDPK1BRD4CSF1RHCAR3ADORA3
SCHEMBL17465395 0.82 NPSR1 (0.34) PDPK1BRD4ADORA3ADORA2AADORA1
SCHEMBL17479810 0.80 GPR119 (0.30) —

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 PDPK1 1029/4885BRD4 1908/4885CSF1R 2449/4885
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 PDPK1 1029/4885BRD4 1908/4885CSF1R 2449/4885

“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