SCHEMBL17465398

SCHEMBL17465398

CCC1(CC)O[C@@H](c2csc3c(NC(=O)c4ccccc4)ncnc23)[C@H](F)[C@@H]1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ HCAR3 P49019 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB3 P21860 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 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
SCHEMBL17465419 0.96 PDPK1 (0.33) BRD4PDPK1SMN1; SMN2NPC1RAB9A
SCHEMBL17465406 0.96 PDPK1 (0.33) BRD4PDPK1SMN1; SMN2NPC1RAB9A
SCHEMBL17465425 0.93 BRD4 (0.34) BRD4PDPK1SMN1; SMN2NPC1RAB9A
SCHEMBL17465436 0.89 PDPK1 (0.33) BRD4PDPK1SMN1; SMN2NPC1RAB9A
SCHEMBL17465395 0.88 NPSR1 (0.34) BRD4PDPK1SMN1; SMN2NPC1RAB9A
SCHEMBL17465405 0.86 PDPK1 (0.32) BRD4PDPK1SMN1; SMN2NPC1RAB9A
SCHEMBL19644596 0.85 BRD4 (0.35) BRD4PDPK1NPC1RAB9AHCAR3
SCHEMBL17465429 0.85 PDPK1 (0.33) BRD4PDPK1SMN1; SMN2NPC1RAB9A
SCHEMBL17465397 0.81 SMN1; SMN2 (0.35) BRD4PDPK1SMN1; SMN2NPC1RAB9A
SCHEMBL21837309 0.80 GPR119 (0.32) BRD4PDPK1SMN1; SMN2KDM4EALDH1A1

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 BRD4 1908/4885PDPK1 1029/4885SMN1; SMN2 1172/4885
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 BRD4 1908/4885PDPK1 1029/4885SMN1; SMN2 1172/4885

“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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