SCHEMBL6704441

SCHEMBL6704441

S=C(NCc1ccc(Cl)cc1)c1cn2c3c(cc(CN4CCOCC4)cc3c1=S)OC(c1ccncc1)C2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.43
KCNH2 Q12809 7/20 0.40
LMNA P02545 1/20 0.35
LTA4H P09960 5/20 0.34
ENPP2 Q13822 2/20 0.34
PDE1B Q01064 1/20 0.34

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
SCHEMBL6701210 0.92 POLA1 (0.51) POLA1KCNH2ENPP2
SCHEMBL6697162 0.92 POLA1 (0.51) POLA1KCNH2LMNAENPP2PDE1B
SCHEMBL6699988 0.92 POLA1 (0.41) POLA1KCNH2LMNALTA4HPDE1B
SCHEMBL6693223 0.88 POLA1 (0.41) POLA1KCNH2LMNALTA4HPDE1B
SCHEMBL6697279 0.87 POLA1 (0.46) POLA1KCNH2LMNAENPP2PDE1B
SCHEMBL6698260 0.86 POLA1 (0.45) POLA1KCNH2LMNAENPP2PDE1B
SCHEMBL6697611 0.85 POLA1 (0.60) POLA1KCNH2
SCHEMBL6695847 0.84 POLA1 (0.52) POLA1KCNH2LTA4HENPP2
SCHEMBL6699320 0.84 POLA1 (0.51) POLA1KCNH2ENPP2
SCHEMBL6697003 0.84 POLA1 (0.48) POLA1KCNH2ENPP2PDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299395-B1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS UPJOHN CO (US) 2004-09-15 EP claimed
US-6673793-B2 N-(4-CHLOROBENZYL)-9-(MORPHOLIN-4-YLMETHYL)-7-OXO-2-(S)-PYRIDIN-2-YL-2,3-DIHYDRO-7H-(1,4) OXAZINO(2,3,4-IJ)QUINOLINE-6-CARBOXAMIDE, FOR EXAMPLE; INHIBITING A VIRAL DNA POLYMERASE; TREATING VIRUSES OF HERPES FAMILY PHARMACIA & UPJOHN CO. 2004-01-06 US claimed
EP-1299395-A1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP claimed
US-20020103170-A1 Oxazinoquinolones useful for the treatment of viral infections PHARMACIA & UPJOHN COMPANY 2002-08-01 US claimed
WO-2002004462-A1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO claimed
US-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-23 US disclosed
EP-1299395-B1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS UPJOHN CO (US) 2004-09-15 EP disclosed
US-6673793-B2 N-(4-CHLOROBENZYL)-9-(MORPHOLIN-4-YLMETHYL)-7-OXO-2-(S)-PYRIDIN-2-YL-2,3-DIHYDRO-7H-(1,4) OXAZINO(2,3,4-IJ)QUINOLINE-6-CARBOXAMIDE, FOR EXAMPLE; INHIBITING A VIRAL DNA POLYMERASE; TREATING VIRUSES OF HERPES FAMILY PHARMACIA & UPJOHN CO. 2004-01-06 US disclosed
US-20020103170-A1 Oxazinoquinolones useful for the treatment of viral infections PHARMACIA & UPJOHN COMPANY 2002-08-01 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-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, NR1H3, NR1H2 POLA1 2550/4885KCNH2 4383/4885LMNA 459/4885
US-20020103170-A1 Oxazinoquinolones useful for the treatment of viral infections ZC3HAV1, RPL5, ZC3HAV1L POLA1 111/4885KCNH2 964/4885LMNA 3776/4885

“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.