Sugi Predict

Sugi Predict / Compounds / SCHEMBL17465401

SCHEMBL17465401

SCHEMBL17465401

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ AURKA O14965 2/20 0.35
▸ RPS6KB1 P23443 2/20 0.35
▸ RAB9A P51151 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ NT5C2 P49902 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ CSF1R P07333 1/20 0.32
▸ SCD O00767 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ P2RX3 P56373 1/20 0.32

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
SCHEMBL17465397 0.86 SMN1; SMN2 (0.35) BRD4PDPK1AURKARPS6KB1RAB9A
SCHEMBL17465432 0.86 BRD4 (0.35) BRD4PDPK1AURKARPS6KB1RAB9A
SCHEMBL21837303 0.84 GPR119 (0.32) BRD4PDPK1AURKARPS6KB1ADORA3
SCHEMBL17465435 0.80 BRD4 (0.35) BRD4PDPK1AURKARPS6KB1RAB9A
SCHEMBL17465396 0.79 LGALS9 (0.38) BRD4PDPK1ADORA3ADORA2AADORA1
SCHEMBL17479346 0.79 LGALS9 (0.38) BRD4PDPK1ADORA3ADORA2AADORA1
SCHEMBL17465407 0.79 PDPK1 (0.35) BRD4PDPK1AURKARPS6KB1RAB9A
SCHEMBL17465436 0.78 PDPK1 (0.33) BRD4PDPK1RAB9ANPC1ADORA3
SCHEMBL17465425 0.78 BRD4 (0.34) BRD4PDPK1AURKARPS6KB1RAB9A
SCHEMBL17465398 0.78 BRD4 (0.34) BRD4PDPK1RAB9ANPC1ADORA3

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 1029/4885AURKA 2189/4885
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 1029/4885AURKA 2189/4885

“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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